SCHEMBL8933816

SCHEMBL8933816

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3sc4ccc(F)cc4c32)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.52
PTGS1 P23219 14/20 0.52

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
SCHEMBL8933915 0.88 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8933960 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8934007 0.85 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8934137 0.82 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8933823 0.79 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8933979 0.76 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6013911 0.70 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL8933897 0.69 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL6981806 0.69 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8609145 0.69 PTGS2 (0.65) PTGS2PTGS1

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