SCHEMBL8033503

SCHEMBL8033503

CN(C)c1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)c(CO)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.55
▸ PTGS1 P23219 5/20 0.46

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
SCHEMBL8032916 0.91 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8033128 0.86 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8037455 0.86 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8037374 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8023470 0.80 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8035474 0.79 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8032785 0.78 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8023297 0.78 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8039557 0.78 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8032931 0.78 PTGS2 (0.71) 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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