SCHEMBL8933842

SCHEMBL8933842

COc1ccc(-n2nc(C(F)(F)F)c3c2-c2cc(S(N)(=O)=O)sc2CS3)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.67
PTGS1 P23219 11/20 0.67
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
SCHEMBL8933921 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933950 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8933885 0.72 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL860766 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL30424119 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933991 0.72 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8933971 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933893 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933877 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6341956 0.70 PTGS2 (0.76) PTGS2PTGS1F10

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