SCHEMBL9200417

SCHEMBL9200417

Cc1ccc(-c2cc(C#N)nn2-c2ccc(N(C)C=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
KDM1A O60341 1/20 0.41
PPP1CA P62136 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL9202536 0.90 PTGS2 (0.60) PTGS2KDM1A
SCHEMBL9208173 0.89 PTGS2 (0.47) PTGS2
SCHEMBL9200341 0.88 PTGS2 (0.45) PTGS2KDM1A
SCHEMBL9203215 0.87 PTGS2 (0.54) PTGS2
SCHEMBL9207743 0.86 PTGS2 (0.46) PTGS2KDM1A
SCHEMBL27351925 0.79 SMN1; SMN2 (0.67) PPP1CASMN1; SMN2
SCHEMBL9207383 0.78 SMN1; SMN2 (0.53) PTGS2KDM1APPP1CASMN1; SMN2
SCHEMBL9200424 0.77 PTGS2 (0.48) PTGS2
SCHEMBL9203630 0.77 PTGS2 (0.65) PTGS2
SCHEMBL6350193 0.76 PTGS2 (0.78) PTGS2

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