SCHEMBL10534865

SCHEMBL10534865

COc1cc(N=C=O)ccc1/N=N/c1ccc(N=C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ PHLPP2 Q6ZVD8 1/20 0.47
▸ TRPA1 O75762 1/20 0.45
▸ PTGS2 P35354 2/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 4/20 0.40
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MAOA P21397 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10534857 1.00 CYP3A4 (0.54) CYP3A4TDP1ALDH1A1HPGDPHLPP2
SCHEMBL10531872 0.91 CYP3A4 (0.51) CYP3A4TDP1ALDH1A1HPGDPHLPP2
SCHEMBL10531873 0.91 CYP3A4 (0.51) CYP3A4TDP1ALDH1A1HPGDPHLPP2
SCHEMBL10533163 0.88 CYP3A4 (0.53) CYP3A4TDP1ALDH1A1HPGDPHLPP2
SCHEMBL10533168 0.88 CYP3A4 (0.53) CYP3A4TDP1ALDH1A1HPGDPHLPP2
SCHEMBL29800238 0.86 CYP3A4 (0.71) CYP3A4TDP1ALDH1A1HPGDPHLPP2
SCHEMBL543088 0.86 CYP3A4 (0.71) CYP3A4TDP1ALDH1A1HPGDPHLPP2
SCHEMBL9776922 0.81 CYP3A4 (0.63) CYP3A4TDP1ALDH1A1HPGDPHLPP2
SCHEMBL307695 0.79 HTR3E (0.53) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL29600721 0.79 HTR3E (0.53) CYP3A4TDP1ALDH1A1HPGDTRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4824824-A COLOR FORMING AROMATIC ISOCYANATES AND IMINE COMPOUNDS MITSUBISHI PAPER MILLS, LTD. (JP) 1989-04-25 — — US disclosed
EP-0101741-B1 COLORING METHOD AND COLOR-FORMING MATERIAL Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-05-20 — — EP disclosed
US-4521793-A Coloring method and color-forming material ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-04 — — US disclosed
EP-0101741-A1 COLORING METHOD AND COLOR-FORMING MATERIAL Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-03-07 — — EP disclosed
US-4318850-A Carboxamide type azomethine pigment ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-03-09 — — US disclosed
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