SCHEMBL8765035

SCHEMBL8765035

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.62
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
PTGS1 P23219 7/20 0.46
HIF1A Q16665 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
SCHEMBL8764356 0.93 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8765541 0.89 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8635650 0.87 PTGS2 (0.62) PTGS2LMNANPSR1PTGS1
SCHEMBL8765227 0.87 PTGS2 (0.62) PTGS2LMNANPSR1ALDH1A1HTT
SCHEMBL8764591 0.82 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8765203 0.80 PTGS2 (0.65) PTGS2LMNANPSR1HTTPTGS1
SCHEMBL8765467 0.80 PTGS2 (0.60) PTGS2LMNANPSR1PTGS1
SCHEMBL7053470 0.78 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6603152 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7912407 0.77 NPC1 (0.65) PTGS2LMNAALDH1A1HTTPTGS1

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