SCHEMBL8887571

SCHEMBL8887571

CSc1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)ccc1Cl

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.85
PTGS1 P23219 16/20 0.85

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
SCHEMBL5594587 0.92 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594817 0.92 PTGS2 (0.86) PTGS2PTGS1
SCHEMBL5594149 0.89 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5595179 0.87 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL5593898 0.87 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5594528 0.87 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL212940 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594495 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594654 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594119 0.83 PTGS2 (0.77) 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