SCHEMBL8023535

SCHEMBL8023535

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

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.80
▸ PTGS1 P23219 1/20 0.70

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
SCHEMBL5430673 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8034991 0.88 PTGS2 (0.83) PTGS2
SCHEMBL8032904 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8032915 0.87 PTGS2 (0.96) PTGS2PTGS1
SCHEMBL8023242 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8033447 0.86 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL896892 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8039820 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8035074 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8033137 0.85 PTGS2 (0.82) PTGS2

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
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO claimed
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO disclosed
Send feedback