SCHEMBL6946362

SCHEMBL6946362

Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.57
▸ CA2 P00918 3/20 0.57
▸ CA9 Q16790 3/20 0.57
▸ RPS6KA3 P51812 1/20 0.56
▸ HSD17B10 Q99714 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ NT5E P21589 1/20 0.52
▸ PTGS1 P23219 2/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ PHLPP2 Q6ZVD8 2/20 0.51
▸ ATIC P31939 1/20 0.49
▸ POLB P06746 2/20 0.49
▸ EGFR P00533 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ GLO1 Q04760 1/20 0.48
▸ CA7 P43166 1/20 0.47
▸ CDK1 P06493 1/20 0.47

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
SCHEMBL12960392 0.87 CYP2C9 (0.66) CA12CA2CA9RPS6KA3HSD17B10
SCHEMBL9178619 0.85 RPS6KA3 (0.54) CA12CA2CA9RPS6KA3HSD17B10
SCHEMBL8746224 0.85 RPS6KA3 (0.54) CA12CA2CA9RPS6KA3HSD17B10
SCHEMBL6946358 0.84 RPS6KA3 (0.56) CA12CA2CA9RPS6KA3HSD17B10
SCHEMBL6946360 0.84 RPS6KA3 (0.56) CA12CA2CA9RPS6KA3HSD17B10
SCHEMBL27771162 0.84 POLB (0.66) RPS6KA3HSD17B10CYP2C9CYP2C19TSHR
SCHEMBL1485997 0.83 TSHR (0.75) CA12CA2CA9RPS6KA3CYP2C9
SCHEMBL5752505 0.83 TSHR (0.75) CA12CA2CA9RPS6KA3CYP2C9
SCHEMBL29378452 0.83 EGFR (0.69) CA12CA2CA9RPS6KA3HSD17B10
SCHEMBL112102 0.83 EGFR (0.69) CA12CA2CA9RPS6KA3HSD17B10

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
EP-1261587-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS UNIV BASEL (CH) 2003-07-16 — — EP disclosed
EP-1261587-A1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS Universität Basel (CH) 2002-12-04 — — EP disclosed
WO-2001040194-A1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT BASEL (CH) 2001-06-07 — — WO disclosed
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