SCHEMBL8765201

SCHEMBL8765201

COc1ccc(-c2c(C(F)F)nn(-c3ccccc3)c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PTGS2 P35354 9/20 0.47
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8920843 0.97 PTGS2 (0.48) PTGS1ALDH1A1LMNAHTTNPSR1
SCHEMBL8765984 0.95 PTGS2 (0.52) PTGS1PTGS2
SCHEMBL8672399 0.91 PTGS2 (0.51) PTGS1PTGS2
SCHEMBL8765003 0.91 PTGS2 (0.56) PTGS1ALDH1A1LMNAHTTNPSR1
SCHEMBL8638385 0.88 PTGS2 (0.48) PTGS1LMNANPSR1PTGS2
Dimethylamine SCHEMBL8765691 0.88 PTGS2 (0.48) PTGS1PTGS2
SCHEMBL8765892 0.88 PTGS2 (0.46) PTGS1PTGS2
SCHEMBL8765934 0.88 PTGS2 (0.58) PTGS1PTGS2
SCHEMBL8766207 0.87 PTGS2 (0.45) PTGS1LMNANPSR1PTGS2POLB
SCHEMBL8766379 0.87 PTGS2 (0.45) PTGS1PTGS2

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
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