SCHEMBL3812912

SCHEMBL3812912

Cc1ccc(C(=O)N(C)c2cc(-c3cccc(C#N)c3)sc2OC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
MAPK14 Q16539 1/20 0.38
HSD17B1 P14061 6/20 0.38
HSD17B2 P37059 6/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
HPGDS O60760 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL3809348 0.91 TP53 (0.40) HSD17B10MAPK14HSD17B1HSD17B2
SCHEMBL3816560 0.88 HSD17B1 (0.44) HSD17B1HSD17B2
SCHEMBL3809473 0.87 HSD17B1 (0.49) HSD17B1HSD17B2
SCHEMBL3811062 0.86 HSD17B1 (0.43) HSD17B1HSD17B2
SCHEMBL2158100 0.86 FNTA (0.42) HSD17B10MAPK14HSD17B1HSD17B2FNTA
SCHEMBL3816661 0.85 HSD17B1 (0.45) HSD17B1HSD17B2HPGDS
SCHEMBL3809493 0.85 HSD17B1 (0.39) HSD17B1HSD17B2
SCHEMBL3807545 0.85 HSD17B1 (0.46) HSD17B1HSD17B2
SCHEMBL3815623 0.85 HSD17B1 (0.39) HSD17B1HSD17B2
SCHEMBL3814766 0.85 HSD17B1 (0.39) HSD17B1HSD17B2

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed