SCHEMBL8632216

SCHEMBL8632216

COc1ccc(-c2c[nH]nc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
F10 P00742 11/20 0.45
F2 P00734 1/20 0.45
CCNE2 O96020 2/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL8632840 0.87 LRRK2 (0.42) F10
SCHEMBL8631406 0.86 TRPV1 (0.50) SCN9AF10KDM4EMEN1LMNA
SCHEMBL8632289 0.86 AKR1B1 (0.40) SCN9AF10
SCHEMBL8632961 0.85 F10 (0.40) F10
SCHEMBL8628206 0.85 PTGES2 (0.39)
SCHEMBL8631181 0.84 PTGS2 (0.50)
SCHEMBL8627977 0.84 PTGS2 (0.50) F10RAB9AKDM4E
SCHEMBL8634768 0.84 F10 (0.42) F10
SCHEMBL8631562 0.84 TRPV1 (0.50) SCN9AF10
SCHEMBL4662973 0.83 SCN9A (0.58) SCN9AF10F2NPC1RAB9A

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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed