SCHEMBL8060593

SCHEMBL8060593

COc1ccncc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.77
PTGS1 P23219 4/20 0.62

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
SCHEMBL5593921 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7796469 0.85 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL7799115 0.82 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL3241987 0.79 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL213457 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594762 0.78 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5604642 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594195 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4212049 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594521 0.77 PTGS2 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6045773-A Method of detecting cyclooxygenase-2 G.D. SEARLE & CO. (US) 2000-04-04 US claimed
US-6045773-A Method of detecting cyclooxygenase-2 G.D. SEARLE & CO. (US) 2000-04-04 US disclosed