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SCHEMBL3815089

SCHEMBL3815089

Cc1ccccc1S(=O)(=O)Nc1cc(-c2cccc(F)c2)sc1OC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ MCL1 Q07820 1/20 0.40

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
SCHEMBL3816632 0.93 NPSR1 (0.49) NPSR1KDM4ERXFP1HSD17B1HSD17B2
SCHEMBL3807312 0.92 NPSR1 (0.53) NPSR1IKBKBKDM4ERXFP1
SCHEMBL3807258 0.92 NPSR1 (0.43) NPSR1IKBKBKDM4ERXFP1MCL1
SCHEMBL3811663 0.90 NPSR1 (0.48) NPSR1IKBKBKDM4ERXFP1
SCHEMBL3812782 0.90 NPSR1 (0.47) NPSR1KDM4ERXFP1HSD17B1HSD17B2
SCHEMBL3807612 0.89 HSD17B1 (0.52) NPSR1IKBKBKDM4ERXFP1HSD17B1
SCHEMBL3812301 0.88 NPSR1 (0.43) NPSR1IKBKBKDM4ERXFP1HSD17B1
SCHEMBL3807338 0.88 ACLY (0.44) NPSR1MCL1
SCHEMBL3807847 0.88 NPSR1 (0.43) NPSR1IKBKBKDM4ERXFP1HSD17B1
SCHEMBL3811048 0.87 MCL1 (0.52) NPSR1POLBMCL1

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