SCHEMBL7215571

SCHEMBL7215571

Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)n1-c1ccc(F)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.62
PTGS1 P23219 12/20 0.52
CHRNA7 P36544 1/20 0.48
SOS1 Q07889 2/20 0.47
PTGER1 P34995 1/20 0.47

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
SCHEMBL7212009 0.89 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7215278 0.89 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5314020 0.84 CHRNA7 (0.60) PTGS2PTGS1CHRNA7PTGER1
SCHEMBL3026121 0.84 CHRNA7 (0.60) PTGS2PTGS1CHRNA7PTGER1
SCHEMBL7210291 0.84 PTGS2 (0.69) PTGS2PTGS1CHRNA7PTGER1
SCHEMBL7216779 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7210689 0.82 PTGS2 (0.77) PTGS2PTGS1CHRNA7
SCHEMBL3021555 0.82 PTGS2 (0.77) PTGS2PTGS1CHRNA7
SCHEMBL7215252 0.81 PTGS2 (0.53) PTGS2PTGS1PTGER1
SCHEMBL7210840 0.79 PTGS2 (0.76) PTGS2PTGS1CHRNA7

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-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 EP disclosed