SCHEMBL5148945

SCHEMBL5148945

COc1ccc(-n2nc(C#N)cc2-c2ccc(CNC(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 4/20 0.53

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
SCHEMBL5148889 0.91 RPA1 (0.50) RPA1
SCHEMBL5148853 0.84 RPA1 (0.54) RPA1
SCHEMBL5152432 0.83 RPA1 (0.60) RPA1
SCHEMBL9207296 0.83 PTGS2 (0.59) RPA1
SCHEMBL5147699 0.82 PTGS2 (0.54) RPA1
SCHEMBL5423109 0.82 RPA1 (0.59) RPA1
SCHEMBL5148639 0.82 RPA1 (0.58) RPA1
SCHEMBL14504421 0.81 PTGS1 (0.48)
SCHEMBL5171748 0.81 PTGS2 (0.50)
SCHEMBL5427928 0.81 ALOX5 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed