SCHEMBL8765227

SCHEMBL8765227

CS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)cnn2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.62
LMNA P02545 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
PTGS1 P23219 6/20 0.58
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 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
SCHEMBL8765203 0.93 PTGS2 (0.65) PTGS2LMNANPSR1PTGS1HTT
SCHEMBL8765046 0.89 PTGS2 (0.67) PTGS2LMNANPSR1PTGS1MEN1
SCHEMBL8765024 0.88 RAB9A (0.69) PTGS2LMNANPSR1PTGS1MEN1
SCHEMBL8635650 0.87 PTGS2 (0.62) PTGS2LMNANPSR1PTGS1
SCHEMBL8765035 0.87 PTGS2 (0.62) PTGS2LMNANPSR1PTGS1HTT
SCHEMBL6262602 0.85 PTGS2 (0.71) PTGS2LMNANPSR1PTGS1MEN1
SCHEMBL8765473 0.82 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8765467 0.80 PTGS2 (0.60) PTGS2LMNANPSR1PTGS1
SCHEMBL8764356 0.80 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5698667 0.77 NPC1 (0.56) PTGS2LMNANPSR1PTGS1MEN1

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