SCHEMBL8039636

SCHEMBL8039636

COc1ccc(-c2cc(-c3ccccn3)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 19/20 0.52
▸ PTGS1 P23219 1/20 0.47
▸ F10 P00742 1/20 0.42

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
SCHEMBL8033346 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8033171 0.88 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8039648 0.85 PTGS2 (0.58) PTGS2PTGS1F10
SCHEMBL8032913 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8040014 0.81 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8023522 0.80 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8039677 0.80 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8023493 0.77 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8035002 0.75 PTGS2 (0.73) PTGS2
SCHEMBL8032870 0.75 PTGS2 (0.69) 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
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO disclosed
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