SCHEMBL9200341

SCHEMBL9200341

CSc1ccc(-c2cc(C#N)nn2-c2ccc(N(C)C=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
PTGS1 P23219 3/20 0.41
NR3C2 P08235 1/20 0.37
KDM1A O60341 2/20 0.35
MALT1 Q9UDY8 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL9200417 0.88 PTGS2 (0.47) PTGS2KDM1A
SCHEMBL9202536 0.87 PTGS2 (0.60) PTGS2PTGS1NR3C2KDM1A
SCHEMBL9208173 0.86 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL9203215 0.84 PTGS2 (0.54) PTGS2PTGS1ALOX5
SCHEMBL9207743 0.83 PTGS2 (0.46) PTGS2PTGS1NR3C2KDM1AMALT1
SCHEMBL9740973 0.80 PTGS2 (0.65) PTGS2PTGS1ALOX5
SCHEMBL9210820 0.80 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL9201792 0.80 PTGS2 (0.63) PTGS2PTGS1NR3C2KDM1A
SCHEMBL9209095 0.80 PTGS2 (0.63) PTGS2PTGS1NR3C2KDM1A
SCHEMBL9207608 0.80 MALT1 (0.46) PTGS2PTGS1KDM1AMALT1

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-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