SCHEMBL8933813

SCHEMBL8933813

COc1ccc2c(c1)oc1c(C(F)(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.55
PTGS1 P23219 7/20 0.55
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
F10 P00742 1/20 0.43

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
SCHEMBL8933932 0.84 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6324134 0.82 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL9233734 0.81 PTGS2 (0.57) PTGS2PTGS1CA1CA2CA4
SCHEMBL8933963 0.81 PTGS2 (0.53) PTGS2PTGS1CA1CA2CA4
SCHEMBL8933979 0.79 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8933933 0.78 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8933823 0.78 PTGS2 (0.57) PTGS2PTGS1CA1CA2CA4
SCHEMBL8934004 0.75 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8933854 0.72 PTGS2 (0.69) PTGS2PTGS1CA1CA2CA4
SCHEMBL6341956 0.72 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA4

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
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO claimed