SCHEMBL21694384

SCHEMBL21694384

N#CC(C=O)c1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 7/20 0.48
▸ MAPK10 P53779 7/20 0.48
▸ HPGD P15428 2/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CASR P41180 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DDAH1 O94760 1/20 0.40
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL8340095 0.78 HPGD (0.53) HPGDALOX5LOXL2CYP1A2CYP2C9
SCHEMBL11516409 0.76 LOXL2 (0.57) MAPK9MAPK10HPGDALOX5LOXL2
SCHEMBL11515131 0.76 MAPK9 (0.55) MAPK9MAPK10HPGDALOX5LOXL2
SCHEMBL3413661 0.76 HPGD (0.50) HPGDALOX5LOXL2CYP1A2CYP2C9
SCHEMBL11514240 0.73 MAPK9 (0.52) MAPK9MAPK10HPGDALOX5LOXL2
SCHEMBL7400010 0.73 HPGD (0.59) MAPK9MAPK10HPGDALOX5LOXL2
SCHEMBL21802341 0.73 ALOX5 (0.57) MAPK9MAPK10HPGDALOX5LOXL2
SCHEMBL11173254 0.73 ALOX5 (0.57) MAPK9MAPK10HPGDALOX5LOXL2
SCHEMBL11512950 0.73 ALDH1A1 (0.47) MAPK9MAPK10HPGDALOX5LOXL2
SCHEMBL7396493 0.71 MAPK10 (0.64) MAPK9MAPK10HPGDALOX5LOXL2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533999-B Coloring composition 住友化学株式会社 2023-02-17 — — CN disclosed
CN-112533999-A Coloring composition 住友化学株式会社 2021-03-19 — — CN disclosed
WO-2020031799-A1 COLORING COMPOSITION 住友化学株式会社 2020-02-13 — — WO disclosed
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