SCHEMBL8764356

SCHEMBL8764356

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.53
PTGS1 P23219 7/20 0.49
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA9 Q16790 3/20 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
SCHEMBL8765035 0.93 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8764591 0.88 PTGS2 (0.64) PTGS2PTGS1CA1CA2CA4
SCHEMBL8765467 0.86 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8765203 0.86 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7053470 0.83 PTGS2 (0.64) PTGS2PTGS1CA1CA2CA4
SCHEMBL8765541 0.82 PTGS2 (0.62) PTGS2PTGS1CA1CA2CA4
SCHEMBL8765227 0.80 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8635650 0.80 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL4187349 0.80 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL9200927 0.78 PTGS2 (0.60) 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 3 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
US-5401765-A FOR TREATING ARTHRITIS, PAIN AND FEVER Searle, G. D. (US) 1995-03-28 US disclosed