SCHEMBL8765332

SCHEMBL8765332

CS(=O)(=O)c1ccc(-c2c(-c3ccccc3Cl)c(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.49
NR1H2 P55055 4/20 0.49
NR1H3 Q13133 4/20 0.49
PTGS2 P35354 11/20 0.46
HSD11B1 P28845 1/20 0.46
PTGS1 P23219 4/20 0.41
CNR1 P21554 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL8765317 0.89 PTGS2 (0.48) PTGS2HSD11B1PTGS1
SCHEMBL8765746 0.89 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8766083 0.84 PTGS2 (0.45) PTGS2PTGS1F10
SCHEMBL8764606 0.83 OPRM1 (0.47) PTGS2PTGS1CNR1
SCHEMBL8764843 0.83 HSD11B1 (0.46) RXRANR1H2NR1H3PTGS2HSD11B1
SCHEMBL8765496 0.80 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8764737 0.79 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8765838 0.77 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8654487 0.76 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8765099 0.75 PTGS2 (0.59) 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