SCHEMBL8919657

SCHEMBL8919657

CS(=O)(=O)c1ccc(-n2nc(C(F)F)c3ccc4c5c(ccc4c32)OCO5)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.41
PTGS1 P23219 5/20 0.41
MAOB P27338 1/20 0.36

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
SCHEMBL8919230 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8917817 0.78 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL8920821 0.77 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL8918665 0.77 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL8921405 0.76 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL8917890 0.76 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL8917301 0.74 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL8918664 0.74 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8919075 0.74 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL8916673 0.73 PTGS2 (0.44) 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
US-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed