SCHEMBL3811541

SCHEMBL3811541

O=C(O)Oc1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
ACLY P53396 4/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL3815210 0.90 ITGA1 (0.49) NPSR1ACLY
SCHEMBL3809155 0.89 NPSR1 (0.49) NPSR1ACLYMAPTKDM4ERXFP1
SCHEMBL3812093 0.88 NPSR1 (0.46) NPSR1ACLYMAPTKDM4ERXFP1
SCHEMBL3816632 0.87 NPSR1 (0.49) NPSR1KDM4ERXFP1
SCHEMBL3807904 0.87 HSD17B1 (0.48) NPSR1MAPTKDM4ERXFP1
SCHEMBL3809025 0.86 ACLY (0.58) NPSR1ACLYKDM4ERXFP1
SCHEMBL3816837 0.86 NPSR1 (0.48) NPSR1ACLYMAPTKDM4ERXFP1
SCHEMBL3816971 0.86 NPSR1 (0.48) NPSR1KDM4ERXFP1
SCHEMBL3808919 0.86 NPSR1 (0.48) NPSR1ACLYKDM4ERXFP1
SCHEMBL3816481 0.85 NPSR1 (0.46) NPSR1ACLYKDM4ERXFP1

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