SCHEMBL9257618

SCHEMBL9257618

CCOC(=O)C(CNC(=O)C#CC(=O)Nc1ccc(C(=N)N)cc1)c1cc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 5/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL9254913 0.80 RAB9A (0.48) NAMPTITGB3ITGA2BHTTKMT2A
SCHEMBL9262142 0.80 F7 (0.43) NAMPTITGB3ITGA2BHTTKMT2A
SCHEMBL9262501 0.72 KLK1 (0.42) ITGB3ITGA2BPLAU
SCHEMBL9263893 0.71 KLK1 (0.38) ITGB3ITGA2B
SCHEMBL9262009 0.70 F7 (0.38) ITGB3ITGA2B
SCHEMBL6976581 0.70 ITGB3 (0.48) NAMPTITGB3ITGA2BGAAMAPT
SCHEMBL7421564 0.67 ITGB3 (0.50) ITGB3ITGA2BKMT2AGAAMEN1
SCHEMBL7345363 0.67 ITGB3 (0.55) ITGB3ITGA2BKMT2AGAAMEN1
SCHEMBL9253393 0.66 RAB9A (0.43) NAMPTITGB3ITGA2BHTTKMT2A
SCHEMBL9260668 0.66 RAB9A (0.41) NAMPTITGB3ITGA2BHTTKMT2A

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
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed