SCHEMBL8639251

SCHEMBL8639251

N#Cc1nn(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.58
PTGS1 P23219 11/20 0.58
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 3/20 0.48
CA9 Q16790 3/20 0.48
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL8638318 0.89 PTGS2 (0.47) PTGS2PTGS1LMNANPSR1
SCHEMBL8918765 0.83 PTGS2 (0.45) PTGS2PTGS1CA1CA2CA4
SCHEMBL8765808 0.83 PTGS2 (0.62) PTGS2PTGS1CA1CA2CA4
SCHEMBL6350778 0.82 PTGS2 (0.61) PTGS2PTGS1CA1CA2CA4
SCHEMBL6345546 0.82 PTGS2 (0.83) PTGS2PTGS1CA1CA2CA4
SCHEMBL8637420 0.81 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA4
SCHEMBL8635532 0.81 PTGS2 (0.68) PTGS2PTGS1CA1CA2CA4
SCHEMBL8765344 0.80 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA4
SCHEMBL8765041 0.79 PTGS2 (0.59) PTGS2PTGS1CA1CA2CA4
SCHEMBL8765843 0.79 PTGS2 (0.59) PTGS2PTGS1CA1CA2CA4

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 10 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 claimed
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 claimed
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 claimed
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 claimed
EP-0830133-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1998-03-25 EP disclosed
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
WO-1996033717-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO 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