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Sugi Predict / Compounds / SCHEMBL3815969

SCHEMBL3815969

SCHEMBL3815969

Cc1ccccc1S(=O)(=O)Nc1cc(-c2ccc(NS(C)(=O)=O)cc2)sc1OC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ IDH1 O75874 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
SCHEMBL3816632 0.90 NPSR1 (0.49) NPSR1HSD17B1HSD17B2KDM4ERXFP1
SCHEMBL3807367 0.89 NPSR1 (0.46) NPSR1KDM4ERXFP1
SCHEMBL3812602 0.89 NPSR1 (0.46) NPSR1HSD17B1HSD17B2KDM4ERXFP1
SCHEMBL3807312 0.88 NPSR1 (0.53) NPSR1KDM4ERXFP1
SCHEMBL3811426 0.88 RAD52 (0.47) NPSR1HSD17B1HSD17B2
SCHEMBL3815294 0.88 NPSR1 (0.42) NPSR1HSD17B1HSD17B2KDM4ERXFP1
SCHEMBL3816724 0.88 ACLY (0.47) PTGDR2NPSR1IDH1
SCHEMBL3814666 0.87 TRIM24 (0.47) NPSR1KDM4ERXFP1
SCHEMBL3811089 0.87 NPSR1 (0.47) NPSR1HSD17B1HSD17B2KDM4ERXFP1
SCHEMBL3816695 0.87 NPSR1 (0.42) NPSR1HSD17B1HSD17B2KDM4ERXFP1

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