Detailed information for compound 436602

Basic information

Technical information
  • TDR Targets ID: 436602
  • Name: [(E)-(2-methoxyphenyl)methylideneamino]thiour ea
  • MW: 209.268 | Formula: C9H11N3OS
  • H donors: 2 H acceptors: 0 LogP: 1.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1/C=N/NC(=S)N
  • InChi: 1S/C9H11N3OS/c1-13-8-5-3-2-4-7(8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)/b11-6+
  • InChiKey: LHIPHJZPFNPALV-IZZDOVSWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(E)-(2-methoxyphenyl)methyleneamino]thiourea
  • 1-[(E)-(2-methoxyphenyl)methylideneamino]thiourea
  • [(E)-o-anisylideneamino]thiourea
  • [(2-methoxyphenyl)methylideneamino]thiourea
  • [(2-methoxyphenyl)methyleneamino]thiourea
  • [(2-methoxybenzylidene)amino]thiourea
  • 4334-73-0
  • ZINC04866208
  • NSC68984
  • SBB000486
  • 2-Methoxybenzaldehyde thiosemicarbazone
  • AIDS-192666
  • AIDS192666
  • Hydrazinecarbothioamide, 2-[(2-methoxyphenyl)methylene]-, (2E)-

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
Brugia malayi Cation transporter family protein 0.0018 0.0254 0.022
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0018 0.0254 0.022
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0124 0.0143
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0018 0.0254 0.0709
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0018 0.0254 0.0709
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0018 0.0254 0.0291
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0703 0.3371
Schistosoma mansoni nAChR subunit 0.0018 0.0254 0.0709
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0018 0.0254 0.022
Schistosoma mansoni lamin 0.0026 0.0623 0.2432
Brugia malayi Cation transporter family protein 0.0018 0.0254 0.022
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0018 0.0254 0.1218
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0426 0.2041
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0018 0.0254 0.022
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0254 0.022
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0018 0.0254 0.1218
Trichomonas vaginalis set domain proteins, putative 0.0231 1 0.5
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0018 0.0254 0.022
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0018 0.0254 0.1218
Echinococcus granulosus lamin dm0 0.0026 0.0623 0.2989
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.1024 0.4909
Schistosoma mansoni intermediate filament proteins 0.0026 0.0623 0.2432
Brugia malayi isocitrate dehydrogenase 0.0015 0.0124 0.007
Echinococcus granulosus glycine receptor subunit beta 0.0018 0.0254 0.1218
Brugia malayi intermediate filament protein 0.0026 0.0623 0.0646
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0018 0.0254 0.022
Brugia malayi Cation transporter family protein 0.0018 0.0254 0.022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0752 0.3033
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0018 0.0254 0.022
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0018 0.0254 0.022
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0124 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0124 0.0596
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0623 0.0715
Onchocerca volvulus 0.0029 0.0752 0.0511
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0124 0.5
Brugia malayi Pre-SET motif family protein 0.0029 0.0752 0.0795
Onchocerca volvulus 0.0026 0.0623 0.0379
Loa Loa (eye worm) hypothetical protein 0.0046 0.1514 0.1737
Schistosoma mansoni nAChR subunit 0.0018 0.0254 0.0709
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0124 0.007
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Loa Loa (eye worm) hypothetical protein 0.0042 0.1324 0.1519
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0124 1
Schistosoma mansoni zinc finger protein 0.0019 0.0293 0.0891
Loa Loa (eye worm) ACC-1 protein 0.0018 0.0254 0.0291
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0018 0.0254 0.1218
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0018 0.0254 0.1218
Schistosoma mansoni bromodomain containing protein 0.0062 0.2245 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0018 0.0254 0.0709
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0623 0.0715
Brugia malayi Bromodomain containing protein 0.0037 0.1129 0.1232
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0064 0.0073
Schistosoma mansoni nAChR subunit 0.0018 0.0254 0.0709
Brugia malayi excitatory GABA receptor EXP-1A 0.0018 0.0254 0.022
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0018 0.0254 0.1218
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0018 0.0254 0.1218
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8716 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0124 0.0596
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0018 0.0254 0.1218
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0254 0.022
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.1024 0.4909
Loa Loa (eye worm) hypothetical protein 0.0069 0.2578 0.2958
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0623 0.0646
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0124 0.0596
Loa Loa (eye worm) hypothetical protein 0.0026 0.0623 0.0715
Echinococcus multilocularis musashi 0.0026 0.0623 0.2989
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1514 0.6587
Echinococcus granulosus glycine receptor subunit beta 0.0018 0.0254 0.1218
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0018 0.0254 0.0291
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0018 0.0254 0.0291
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0018 0.0254 0.1218
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0018 0.0254 0.0291
Echinococcus granulosus glycine receptor subunit alpha 1 0.0018 0.0254 0.1218
Echinococcus granulosus glycine receptor subunit alpha 1 0.0018 0.0254 0.1218
Schistosoma mansoni nAChR subunit 0.0018 0.0254 0.0709
Echinococcus granulosus nAChR subunit 0.0018 0.0254 0.1218
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.018 0.0366
Echinococcus granulosus intermediate filament protein 0.0026 0.0623 0.2989
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0124 0.0596
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0124 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0018 0.0254 0.1218
Schistosoma mansoni lamin 0.0026 0.0623 0.2432
Loa Loa (eye worm) LGC-31 protein 0.0018 0.0254 0.0291
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.2085 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.034 0.039
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0208 0.0238
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0018 0.0254 0.1218
Echinococcus granulosus lamin 0.0026 0.0623 0.2989
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0254 0.022
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0018 0.0254 0.0291
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0018 0.0254 0.1218
Loa Loa (eye worm) hypothetical protein 0.0026 0.0601 0.069
Loa Loa (eye worm) ACC-1 protein 0.0018 0.0254 0.0291
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0018 0.0254 0.022
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1514 0.6587
Brugia malayi PHD-finger family protein 0.0024 0.0531 0.054
Brugia malayi Bromodomain containing protein 0.0073 0.2769 0.3127
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0018 0.0254 0.1218
Echinococcus multilocularis lamin 0.0026 0.0623 0.2989
Echinococcus granulosus glycine receptor subunit alpha 1 0.0018 0.0254 0.1218
Onchocerca volvulus 0.0026 0.0623 0.0379
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0254 0.022
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0018 0.0254 0.0709
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0124 1
Echinococcus multilocularis glycine receptor subunit beta 0.0018 0.0254 0.1218
Echinococcus multilocularis zinc finger protein 0.0019 0.0293 0.1405
Schistosoma mansoni nAChR subunit 0.0018 0.0254 0.0709
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0018 0.0254 0.1218
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Schistosoma mansoni nAChR subunit 0.0018 0.0254 0.0709
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.018 0.0366
Schistosoma mansoni nAChR subunit 0.0018 0.0254 0.0709
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0124 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0254 0.022
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0018 0.0254 0.1218
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.018 0.0865
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0426 0.151
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.018 0.0865
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0018 0.0254 0.0291
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0018 0.0254 0.1218
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0018 0.0254 0.0709
Loa Loa (eye worm) hypothetical protein 0.004 0.1238 0.1421
Loa Loa (eye worm) hypothetical protein 0.0037 0.1133 0.13
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0018 0.0254 0.1218
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0752 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.2085 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Brugia malayi Pre-SET motif family protein 0.0203 0.8716 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0124 0.0596
Schistosoma mansoni hypothetical protein 0.002 0.034 0.1112
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0018 0.0254 0.1218
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0124 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0018 0.0254 0.022
Plasmodium vivax SET domain protein, putative 0.0029 0.0752 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0018 0.0254 0.022
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0124 0.0596
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.1514 0.7259
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0018 0.0254 0.0709
Echinococcus multilocularis glycine receptor subunit beta 0.0018 0.0254 0.1218
Echinococcus multilocularis lamin dm0 0.0026 0.0623 0.2989
Echinococcus multilocularis nAChR subunit 0.0018 0.0254 0.1218
Loa Loa (eye worm) hypothetical protein 0.0018 0.0254 0.0291
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.1514 0.7259
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0752 0.3033
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0752 0.3606
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0124 0.0104
Echinococcus granulosus zinc finger protein 0.0019 0.0293 0.1405
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0426 0.2041
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0254 0.022

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 21.6 10^-3mmol/L Inhibition of pieris rapae Phenoloxidase ChEMBL. 17258462
IC50 (functional) = 16.1 uM Inhibition of melanogenesis in mouse B16 cells ChEMBL. 20863702
Inhibition (functional) = 52 % Inhibition of melanogenesis in mouse B16 cells at 10 uM ChEMBL. 20863702
Log IC50 (binding) = 4.67 Inhibition of pieris rapae Phenoloxidase ChEMBL. 17258462

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 20863702

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

1 literature reference was collected for this gene.

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