Detailed information for compound 1856043

Basic information

Technical information
  • TDR Targets ID: 1856043
  • Name: N-[[2-(4-methylphenoxy)phenyl]methylidene]hyd roxylamine
  • MW: 227.259 | Formula: C14H13NO2
  • H donors: 1 H acceptors: 1 LogP: 3.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/c1ccccc1Oc1ccc(cc1)C
  • InChi: 1S/C14H13NO2/c1-11-6-8-13(9-7-11)17-14-5-3-2-4-12(14)10-15-16/h2-10,16H,1H3/b15-10+
  • InChiKey: NSDKIRMVHAJUHF-XNTDXEJSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (NE)-N-[[2-(4-methylphenoxy)phenyl]methylidene]hydroxylamine
  • 2-(4-methylphenoxy)benzaldehyde oxime
  • 2-(4-methylphenoxy)benzaldoxime
  • 12N-021
  • 2-(4-methylphenoxy)benzenecarbaldehyde oxime
  • MLS000326770
  • SMR000179422

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 1 1
Brugia malayi TAR-binding protein 0.0076 0.5919 0.6111
Trypanosoma brucei polo-like protein kinase 0.0114 0.9685 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9685 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.6022 0.5312
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5919 0.519
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.5919 0.6111
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.2621 0.1303
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1516 0.1516
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.9685 0.9685
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.9685 0.9629
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.9685 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5919 0.519
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.9608 0.9538
Schistosoma mansoni kinase 0.0058 0.4062 0.3002
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5919 0.519
Loa Loa (eye worm) hypothetical protein 0.0074 0.563 0.563
Loa Loa (eye worm) hypothetical protein 0.0044 0.2621 0.2621
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9685 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.5919 0.5919
Brugia malayi Transient-receptor-potential like protein 0.0044 0.2621 0.2706
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.9685 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5919 0.519
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9685 1
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.2621 0.1303
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.5919 0.5919
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.9685 0.9629
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.9685 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9685 1
Loa Loa (eye worm) hypothetical protein 0.0117 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.9685 0.5
Schistosoma mansoni transient receptor potential channel 4 0.0117 1 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.6022 0.5312
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.9608 0.9538
Echinococcus multilocularis tar DNA binding protein 0.0076 0.5919 0.519
Loa Loa (eye worm) RNA binding protein 0.0076 0.5919 0.5919
Loa Loa (eye worm) hypothetical protein 0.0033 0.1516 0.1516
Giardia lamblia Kinase, PLK 0.0114 0.9685 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.6022 0.5312
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5919 0.519
Echinococcus granulosus tar DNA binding protein 0.0076 0.5919 0.519
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.6022 0.5312
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9685 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9685 1
Brugia malayi intermediate filament protein 0.0033 0.1516 0.1565
Schistosoma mansoni transient receptor potential channel 0.0078 0.6022 0.5312
Loa Loa (eye worm) hypothetical protein 0.0032 0.1456 0.1456
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.9685 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.9685 1
Loa Loa (eye worm) hypothetical protein 0.004 0.2229 0.2229
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.9685 0.9629
Schistosoma mansoni transient receptor potential channel 0.0078 0.6022 0.5312
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1516 0.1516
Brugia malayi RNA binding protein 0.0076 0.5919 0.6111
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1516 0.1565
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9685 1
Schistosoma mansoni transient receptor potential channel 0.0117 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 9.4387 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) 3.3587 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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