SCHEMBL3816971

SCHEMBL3816971

O=C(O)Oc1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KLK7 P49862 1/20 0.44
MCL1 Q07820 1/20 0.42
POLB P06746 1/20 0.42
IKBKB O14920 1/20 0.42

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 0.87 NPSR1 (0.49) NPSR1KDM4ERXFP1
SCHEMBL3811541 0.86 NPSR1 (0.48) NPSR1KDM4ERXFP1
SCHEMBL3808919 0.86 NPSR1 (0.48) NPSR1KDM4ERXFP1IKBKB
SCHEMBL3816837 0.86 NPSR1 (0.48) NPSR1KDM4ERXFP1IKBKB
SCHEMBL3811574 0.86 HSD17B1 (0.47) NPSR1KDM4ERXFP1IKBKB
SCHEMBL3809151 0.84 NPSR1 (0.45) NPSR1KDM4ERXFP1
SCHEMBL3816575 0.84 NPSR1 (0.67) NPSR1KDM4ERXFP1MCL1IKBKB
SCHEMBL3807620 0.84 NPSR1 (0.57) NPSR1KDM4ERXFP1MCL1IKBKB
SCHEMBL3816695 0.84 NPSR1 (0.42) NPSR1KDM4ERXFP1
SCHEMBL3812325 0.83 MEN1 (0.53) NPSR1

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