SCHEMBL6979833

SCHEMBL6979833

C/C=C(\C)CS(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ MGAM O43451 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PDE10A Q9Y233 3/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CSNK1G2 P78368 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ MAP4K5 Q9Y4K4 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL1272573 0.77 CYP1A2 (0.50) CYP1A2RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL6986645 0.76 CYP1A2 (0.43) CYP1A2RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL6606473 0.75 CYP1A2 (0.42) CYP1A2RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL27578438 0.75 TRPV1 (0.44) CYP1A2KMT2AHIF1AEPAS1PDE10A
SCHEMBL1272570 0.74 CYP1A2 (0.50) CYP1A2RAB9AKDM4EHIF1AEPAS1
SCHEMBL6987795 0.73 CYP1A2 (0.43) CYP1A2RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL6981602 0.73 CYP1A2 (0.38) CYP1A2RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL6607278 0.73 CYP1A2 (0.42) CYP1A2RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL6607276 0.73 CYP1A2 (0.42) CYP1A2RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL6606289 0.73 CYP1A2 (0.42) CYP1A2RAB9AKDM4EKMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 — — EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 — — WO disclosed
Send feedback