SCHEMBL11438830

SCHEMBL11438830

Cc1ccc(N)c(C(=O)Nc2ccc3cc(S(=O)(=O)O)ccc3c2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CASP6 P55212 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ENPP2 Q13822 6/20 0.42
▸ SNCA P37840 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NT5E P21589 2/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KCNMA1 Q12791 1/20 0.38
▸ SUMO2 P61956 1/20 0.37
▸ SUMO1 P63165 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP3 Q9H4L4 1/20 0.37

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
SCHEMBL11433105 0.92 PLG (0.42) CYP2C9CYP1A2CASP6ALDH1A1CYP2C19
SCHEMBL11440638 0.91 CYP2C9 (0.44) CYP2C9CYP1A2CASP6ALDH1A1CYP2C19
SCHEMBL11434140 0.86 KCNMA1 (0.47) CYP2C9CYP1A2CASP6ALDH1A1CYP2C19
SCHEMBL11435677 0.85 CASP6 (0.43) CYP2C9CYP1A2CASP6ALDH1A1CYP2C19
SCHEMBL11439237 0.85 CYP2C9 (0.47) CYP2C9CYP1A2CASP6ALDH1A1CYP2C19
SCHEMBL11422990 0.84 KCNMA1 (0.50) CYP2C9CYP1A2CASP6ALDH1A1CYP2C19
SCHEMBL11433122 0.83 ALDH1A1 (0.42) CYP2C9CYP1A2CASP6ALDH1A1HSD17B10
SCHEMBL11435627 0.83 ALDH1A1 (0.42) CYP2C9CYP1A2CASP6ALDH1A1HSD17B10
SCHEMBL11427862 0.83 SNCA (0.44) CYP2C9CYP1A2CASP6ALDH1A1CYP2C19
SCHEMBL11425760 0.83 PLG (0.44) CYP2C9CYP1A2CASP6ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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