SCHEMBL8885285

SCHEMBL8885285

Cc1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.87
PTGS1 P23219 9/20 0.87

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
SCHEMBL3250262 0.93 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594141 0.92 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5594591 0.90 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL5594425 0.90 PTGS2 (0.86) PTGS2PTGS1
SCHEMBL5595203 0.87 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL5594093 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5595349 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3242152 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594138 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594464 0.85 PTGS2 (0.85) 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-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US claimed