SCHEMBL9199704

SCHEMBL9199704

CS(=O)(=O)c1ccc(-c2cc(C#N)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.55
NR1H2 P55055 5/20 0.55
NR1H3 Q13133 5/20 0.55
PTGS2 P35354 10/20 0.47
ALOX5 P09917 2/20 0.44
HSD11B1 P28845 1/20 0.41
PTGS1 P23219 4/20 0.41

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
SCHEMBL9207677 0.86 PTGS2 (0.50) RXRANR1H2NR1H3PTGS2ALOX5
SCHEMBL9203418 0.86 PTGS2 (0.53) RXRANR1H2NR1H3PTGS2ALOX5
SCHEMBL9214200 0.84 PTGS2 (0.46) RXRANR1H2NR1H3PTGS2ALOX5
SCHEMBL9204622 0.83 PTGS2 (0.45) RXRANR1H2NR1H3PTGS2ALOX5
SCHEMBL27342072 0.83 ALOX5 (0.61) PTGS2ALOX5PTGS1
SCHEMBL9210122 0.82 PTGS2 (0.44) RXRANR1H2NR1H3PTGS2ALOX5
SCHEMBL9206528 0.81 RXRA (0.40) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL9209318 0.81 PTGS2 (0.43) RXRANR1H2NR1H3PTGS2ALOX5
SCHEMBL8953954 0.80 RXRA (0.82) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL7867777 0.80 PTGS2 (0.54) PTGS2ALOX5PTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1046506-C Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-17 CN disclosed
EP-0418845-B1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-09 EP disclosed
US-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed
EP-0418845-A1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-27 EP disclosed