SCHEMBL8035549

SCHEMBL8035549

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(F)c2)cc1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00

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
SCHEMBL8023242 0.90 PTGS2 (1.00) PTGS2
SCHEMBL8032790 0.89 PTGS2 (1.00) PTGS2
SCHEMBL8034704 0.89 PTGS2 (1.00) PTGS2
SCHEMBL8032915 0.88 PTGS2 (0.96) PTGS2
SCHEMBL8033137 0.84 PTGS2 (0.82) PTGS2
SCHEMBL5430673 0.84 PTGS2 (1.00) PTGS2
SCHEMBL8034991 0.83 PTGS2 (0.83) PTGS2
SCHEMBL8033538 0.83 PTGS2 (0.79) PTGS2
SCHEMBL8032904 0.82 PTGS2 (1.00) PTGS2
SCHEMBL8023277 0.82 PTGS2 (0.75) 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