SCHEMBL8765203

SCHEMBL8765203

CS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)cnn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.65
PTGS1 P23219 7/20 0.65
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
CCR1 P32246 1/20 0.48

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
SCHEMBL8765227 0.93 PTGS2 (0.62) PTGS2PTGS1LMNANPSR1KDM4E
SCHEMBL8765473 0.88 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8764356 0.86 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8765467 0.86 PTGS2 (0.60) PTGS2PTGS1LMNANPSR1
SCHEMBL6262602 0.83 PTGS2 (0.71) PTGS2PTGS1LMNANPSR1KDM4E
SCHEMBL8765046 0.82 PTGS2 (0.67) PTGS2PTGS1LMNANPSR1KDM4E
SCHEMBL8765035 0.80 PTGS2 (0.62) PTGS2PTGS1LMNANPSR1HTT
SCHEMBL8635650 0.80 PTGS2 (0.62) PTGS2PTGS1LMNANPSR1
SCHEMBL4184799 0.80 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL4192966 0.80 PTGS2 (0.68) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731794-B1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1997-08-06 EP disclosed
US-5639777-A 1,4,5-triphenyl pyrazolyl compounds for the treatment of inflammation and inflammation-related disorders G.D. SEARLE & CO. (US) 1997-06-17 US disclosed
EP-0731794-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1996-09-18 EP disclosed
WO-1995015317-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 1995-06-08 WO disclosed
US-5401765-A FOR TREATING ARTHRITIS, PAIN AND FEVER Searle, G. D. (US) 1995-03-28 US disclosed