SCHEMBL8023576

SCHEMBL8023576

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCCC2)cc1CO

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 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
SCHEMBL6013942 0.82 PTGS2 (0.60) PTGS2
SCHEMBL6013987 0.82 PTGS2 (0.60) PTGS2
SCHEMBL6013977 0.81 PTGS2 (0.61) PTGS2
SCHEMBL6721318 0.77 PTGS2 (0.47) PTGS2
SCHEMBL8639303 0.77 CRACR2A (0.42) PTGS2
SCHEMBL8641063 0.77 CRACR2A (0.42) PTGS2
SCHEMBL8023242 0.76 PTGS2 (1.00) PTGS2
SCHEMBL6719129 0.76 PTGS2 (0.48) PTGS2
SCHEMBL8039356 0.76 PTGS2 (0.70) PTGS2
SCHEMBL8637272 0.76 CRACR2A (0.43) 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