SCHEMBL3816506

SCHEMBL3816506

O=C(O)Oc1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.42
▸ KIT P10721 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ACLY P53396 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ USP8 P40818 2/20 0.39
▸ POLB P06746 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
SCHEMBL2158015 0.85 NPSR1 (0.49) PPARDNPSR1ACLYMEN1KMT2A
SCHEMBL3816150 0.85 ACLY (0.55) NPSR1ACLYMEN1KMT2AKDM4E
SCHEMBL3809704 0.82 MMP2 (0.49) NPSR1KDM4ERXFP1
SCHEMBL3816898 0.82 ACLY (0.58) NPSR1ACLYMEN1KMT2AKDM4E
SCHEMBL3811048 0.79 MCL1 (0.52) NPSR1ACLYPOLB
SCHEMBL3812325 0.79 MEN1 (0.53) NPSR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL3809711 0.78 NPSR1 (0.52) NPSR1KDM4EIKBKB
SCHEMBL3811274 0.77 HSD17B2 (0.56) NPSR1KDM4ERXFP1IKBKB
SCHEMBL3816575 0.77 NPSR1 (0.67) NPSR1ACLYKDM4ERXFP1IKBKB
SCHEMBL3810988 0.76 GLO1 (0.48) NPSR1ACLYKDM4E

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
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