SCHEMBL8933933

SCHEMBL8933933

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3oc4ccc(Cl)cc4c32)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.54
PTGS1 P23219 11/20 0.54
PDPK1 O15530 3/20 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
SCHEMBL8933979 0.88 PTGS2 (0.52) PTGS2PTGS1PDPK1
SCHEMBL8933963 0.87 PTGS2 (0.53) PTGS2PTGS1PDPK1
SCHEMBL6324134 0.84 PTGS2 (0.54) PTGS2PTGS1PDPK1
SCHEMBL8933932 0.79 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8933813 0.78 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8933915 0.77 PTGS2 (0.55) PTGS2PTGS1PDPK1
SCHEMBL9091738 0.71 PTGS2 (0.58) PTGS2PTGS1PDPK1
SCHEMBL27464723 0.71 PTGS2 (0.79) PTGS2PTGS1PDPK1
SCHEMBL212332 0.71 PTGS2 (1.00) PTGS2PTGS1PDPK1
SCHEMBL8765178 0.70 PTGS2 (0.80) PTGS2PTGS1PDPK1

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