SCHEMBL8633655

SCHEMBL8633655

CC=Cn1cc(-c2ccc(OC)cc2)c(-c2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.47
F2 P00734 1/20 0.46
SCN9A Q15858 1/20 0.42
MAPKAPK2 P49137 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
SCHEMBL8632274 0.88 F10 (0.40) F10F2
SCHEMBL8628225 0.87 F10 (0.41) F10F2
SCHEMBL8632661 0.86 PTGS2 (0.44) F10F2
SCHEMBL7778210 0.84 MAPKAPK2 (0.54) MAPKAPK2
SCHEMBL8629935 0.83 PTGS2 (0.53) F10
SCHEMBL8629361 0.82 TGFBR1 (0.53) F10F2SCN9AMAPKAPK2
SCHEMBL8631626 0.80 ALOX5AP (0.43) F10F2
SCHEMBL8631931 0.80 MEN1 (0.49) F10F2SCN9AMAPKAPK2
SCHEMBL7773338 0.78 PTGS2 (0.50)
SCHEMBL8629426 0.78 F10 (0.47) F10F2SCN9AMAPKAPK2

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