Detailed information for compound 1474686

Basic information

Technical information
  • TDR Targets ID: 1474686
  • Name: N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzo dioxin-7-amine
  • MW: 247.313 | Formula: C13H13NO2S
  • H donors: 1 H acceptors: 0 LogP: 2.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1COc2c(O1)cc(cc2)NCc1cccs1
  • InChi: 1S/C13H13NO2S/c1-2-11(17-7-1)9-14-10-3-4-12-13(8-10)16-6-5-15-12/h1-4,7-8,14H,5-6,9H2
  • InChiKey: AWFOJZJTUDVDFF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-thienylmethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
  • 2,3-dihydro-1,4-benzodioxin-7-yl-(2-thienylmethyl)amine
  • ZINC03415943

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0599 0.1421
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3481 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0069 0.025
Echinococcus granulosus TGF beta signal transducer SmadC 0.0019 0.0002 0.0003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0183 0.0215
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0183 0.03
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0201 0.1903 0.2243
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0251 0.0296
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0174 0.9512
Brugia malayi hypothetical protein 0.0249 0.2394 0.8962
Echinococcus granulosus intermediate filament protein 0.0028 0.0102 0.0121
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.1148 0.1539
Brugia malayi hypothetical protein 0.0043 0.026 0.0963
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3481 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0251 0.0386
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0323 0.3174 1
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0183 0.03
Brugia malayi PHD-finger family protein 0.0035 0.0174 0.0642
Loa Loa (eye worm) hypothetical protein 0.0028 0.0097 0.0354
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0153 0.1401 0.4072
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0183 0.0182
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0129 0.1148 0.1354
Giardia lamblia PHD finger protein 15 0.0035 0.0174 0.0499
Schistosoma mansoni aldehyde dehydrogenase 0.0129 0.1148 0.1354
Mycobacterium tuberculosis Conserved hypothetical protein 0.017 0.1581 0.2227
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.0628
Schistosoma mansoni hypothetical protein 0.0043 0.026 0.0306
Onchocerca volvulus 0.0048 0.0312 0.0782
Echinococcus multilocularis pyruvate kinase 0.0028 0.0104 0.0104
Echinococcus multilocularis geminin 0.036 0.3551 0.3551
Loa Loa (eye worm) hypothetical protein 0.0033 0.0155 0.0572
Loa Loa (eye worm) hypothetical protein 0.006 0.0429 0.1598
Schistosoma mansoni smad1 5 8 and 0.0019 0.0002 0.0003
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0183 0.0675
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0761 0.0897
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1602 0.2261
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3481 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0183 0.0675
Echinococcus multilocularis thymidine phosphorylase 0.0639 0.646 0.646
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0183 0.0675
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0183 0.0215
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0251 0.0554
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.026 0.0306
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.017 0.0628
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.1148 0.1539
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.2394 0.2823
Echinococcus multilocularis chromobox protein 1 0.0076 0.0599 0.0599
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0201 0.1903 0.7119
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0174 0.0642
Entamoeba histolytica hypothetical protein 0.0043 0.026 0.0558
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3481 1
Echinococcus multilocularis musashi 0.0028 0.0102 0.0102
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.1401 0.4072
Onchocerca volvulus 0.0033 0.0155 0.0197
Schistosoma mansoni smad 0.0019 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0051 0.0338 0.1257
Loa Loa (eye worm) transcription factor SMAD2 0.0275 0.2672 1
Schistosoma mansoni chromobox protein 0.0076 0.0599 0.0706
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0183 0.0182
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0251 0.0251
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.026 0.0306
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0102 0.0374
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0183 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0317 0.0374
Brugia malayi intermediate filament protein 0.0028 0.0102 0.0374
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.018 0.1685 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0335 0.1246
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0251 0.0931
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0183 0.159
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0281 0.0328
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0281 0.0328
Echinococcus granulosus lamin dm0 0.0028 0.0102 0.0121
Schistosoma mansoni pyruvate kinase 0.0036 0.0183 0.0215
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0019 0.0002 0.0002
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0183 0.0675
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0174 0.1513
Loa Loa (eye worm) hypothetical protein 0.0025 0.0069 0.025
Schistosoma mansoni hypothetical protein 0.036 0.3551 0.4187
Brugia malayi chromobox protein homolog 3 0.0043 0.0251 0.0931
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0338 0.1257
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.3481 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1008 0.1188
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0338 0.1257
Onchocerca volvulus 0.0051 0.0335 0.0867
Leishmania major mitochondrial DNA polymerase beta 0.0323 0.3174 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0335 0.0395
Echinococcus multilocularis pyruvate kinase 0.0036 0.0183 0.0183
Entamoeba histolytica hypothetical protein 0.0043 0.026 0.0558
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0384 0.0674
Echinococcus multilocularis peregrin 0.0035 0.0174 0.0174
Echinococcus granulosus mothers against decapentaplegic 5 0.0019 0.0002 0.0003
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0102 0.0374
Echinococcus granulosus Smad4 0.0019 0.0002 0.0003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3481 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0281 0.0328
Schistosoma mansoni chromobox protein 0.0076 0.0599 0.0706
Brugia malayi MH2 domain containing protein 0.0275 0.2672 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3481 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.1148 0.1539
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0201 0.1903 0.7119
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.0599 0.2234
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0019 0.0002 0.0003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3481 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0201 0.1903 0.1903
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0183 0.0215
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1602 0.9447
Plasmodium vivax SET domain protein, putative 0.0036 0.0183 0.9992
Brugia malayi jmjC domain containing protein 0.0043 0.0251 0.0931
Schistosoma mansoni smad1 5 8 and 0.0019 0.0002 0.0003
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0169 0.0199
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8481 1
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0285 0.0486
Schistosoma mansoni pyruvate kinase 0.0036 0.0183 0.0215
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1602 0.2261
Echinococcus multilocularis tumor protein p63 0.0408 0.4055 0.4055
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0639 0.646 1
Toxoplasma gondii aldehyde dehydrogenase 0.0129 0.1148 1
Plasmodium falciparum phd finger protein, putative 0.0035 0.0174 0.9512
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0285 0.068
Loa Loa (eye worm) hypothetical protein 0.006 0.0436 0.1623
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0129 0.1148 0.1148
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0183 0.0183
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3481 1
Echinococcus granulosus lamin 0.0028 0.0102 0.0121
Entamoeba histolytica hypothetical protein 0.0043 0.026 0.0558
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0251 0.0386
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0281 0.0328
Schistosoma mansoni hypothetical protein 0.0035 0.0174 0.0205
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0048 0.0312 0.0368
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0183 0.0183
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0174 0.1513
Onchocerca volvulus Alhambra homolog 0.0035 0.0174 0.0266
Echinococcus granulosus pyruvate kinase 0.0036 0.0183 0.0215
Schistosoma mansoni lamin 0.0028 0.0102 0.0121
Brugia malayi jmjC domain containing protein 0.0115 0.1008 0.3766
Loa Loa (eye worm) hypothetical protein 0.0249 0.2394 0.8962
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0201 0.1903 0.2243
Echinococcus multilocularis pyruvate kinase 0.0036 0.0183 0.0183
Schistosoma mansoni hypothetical protein 0.0035 0.017 0.0201
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0599 0.1421
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0129 0.1148 0.1539
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8481 1
Toxoplasma gondii hypothetical protein 0.0052 0.035 0.305
Onchocerca volvulus 0.006 0.0429 0.1218
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3481 1
Mycobacterium ulcerans hypothetical protein 0.017 0.1581 0.2227
Schistosoma mansoni hypothetical protein 0.036 0.3551 0.4187
Schistosoma mansoni intermediate filament proteins 0.0028 0.0102 0.0121
Echinococcus multilocularis chromobox protein 1 0.0076 0.0599 0.0599
Onchocerca volvulus 0.0286 0.2785 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0183 0.0675
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0564 0.2104
Echinococcus multilocularis smad 0.0019 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0035 0.0174 0.0642
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0174 0.0174
Echinococcus granulosus thymidine phosphorylase 0.0639 0.646 0.7616
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0183 0.0675
Echinococcus multilocularis mothers against decapentaplegic 5 0.0019 0.0002 0.0002
Echinococcus granulosus pyruvate kinase 0.0036 0.0183 0.0215
Loa Loa (eye worm) MH2 domain-containing protein 0.0275 0.2672 1
Schistosoma mansoni smad1 5 8 and 0.0019 0.0002 0.0003
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.2394 0.2394
Brugia malayi Pre-SET motif family protein 0.0251 0.2423 0.907
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0201 0.1903 0.2243
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0317 0.0317
Echinococcus granulosus peregrin 0.0035 0.0174 0.0205
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0285 0.0486
Echinococcus multilocularis Smad4 0.0019 0.0002 0.0002
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0174 0.0205
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3481 1
Plasmodium falciparum pyruvate kinase 0.0036 0.0183 1
Echinococcus granulosus tumor protein p63 0.0408 0.4055 0.4781
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0323 0.3174 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.3481 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.0335 0.0395
Entamoeba histolytica hypothetical protein 0.0043 0.026 0.0558
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0183 0.0215
Loa Loa (eye worm) hypothetical protein 0.0036 0.0183 0.0675
Giardia lamblia Pyruvate kinase 0.0036 0.0183 0.0525
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0251 0.0296
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0174 0.0205
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0183 0.0675
Echinococcus granulosus chromobox protein 1 0.0076 0.0599 0.0706
Echinococcus granulosus geminin 0.036 0.3551 0.4187
Loa Loa (eye worm) hypothetical protein 0.0043 0.0251 0.0931
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.1401 0.4072
Echinococcus multilocularis lamin 0.0028 0.0102 0.0102
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.018 0.1685 0.2393
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0251 0.0296
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0323 0.3174 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0429 0.0506
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0201 0.1903 0.2243
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2785 0.7927
Echinococcus granulosus chromobox protein 1 0.0076 0.0599 0.0706
Schistosoma mansoni lamin 0.0028 0.0102 0.0121
Echinococcus multilocularis lamin dm0 0.0028 0.0102 0.0102
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0102 0.0374
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0183 0.03
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0338 0.1257
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0183 0.1591
Schistosoma mansoni Smad4 0.0019 0.0002 0.0003
Mycobacterium ulcerans thymidine phosphorylase 0.0639 0.646 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0201 0.1903 0.1903
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2423 0.907
Echinococcus granulosus smad 0.0019 0.0002 0.0003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0201 0.1903 0.2243
Chlamydia trachomatis pyruvate kinase 0.0036 0.0183 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0129 0.1148 0.1354
Brugia malayi Bromodomain containing protein 0.0035 0.0174 0.0642
Brugia malayi Heterochromatin protein 1 0.0076 0.0599 0.2234
Loa Loa (eye worm) hypothetical protein 0.0028 0.0102 0.0374
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.018 0.1685 0.2393
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.026 0.026
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1008 0.1008
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0129 0.1148 0.3229
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8481 0.8481

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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