SCHEMBL3816563

SCHEMBL3816563

O=C(O)Oc1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.54
KDM4E B2RXH2 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IKBKB O14920 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP19A1 P11511 2/20 0.47
POLB P06746 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL3807336 0.92 DDX3X (0.56) NPSR1KDM4ERXFP1HPGDL3MBTL1
SCHEMBL3816575 0.89 NPSR1 (0.67) NPSR1KDM4ERXFP1IKBKB
SCHEMBL3814765 0.87 MEN1 (0.44) NPSR1KDM4ERXFP1KMT2AMEN1
SCHEMBL3811715 0.86 NPSR1 (0.69) NPSR1KDM4ERXFP1IKBKBCA12
SCHEMBL3814727 0.85 NPSR1 (0.57) NPSR1KDM4ERXFP1IKBKBKMT2A
SCHEMBL3807620 0.85 NPSR1 (0.57) NPSR1KDM4ERXFP1IKBKBHSD17B1
SCHEMBL3815310 0.84 NPSR1 (0.62) NPSR1KDM4ERXFP1IKBKBCA12
SCHEMBL3811277 0.84 PKM (0.53) NPSR1KDM4ERXFP1L3MBTL1CA2
SCHEMBL3810994 0.83 NPSR1 (0.55) NPSR1KDM4ERXFP1IKBKBKMT2A
SCHEMBL3811274 0.83 HSD17B2 (0.56) NPSR1KDM4ERXFP1IKBKBCA2

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