SCHEMBL9028243

SCHEMBL9028243

C#CCC(NC(=O)CC1CCN(c2ccc(C=NN)cc2)C1=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL9028262 1.00 ITGB3 (0.35) ITGB3ITGA2BKDM4EALDH1A1CA12
SCHEMBL27529645 0.89 ITGB3 (0.35) ITGB3ITGA2BALDH1A1
SCHEMBL27351399 0.86 ITGB3 (0.31) ITGB3ITGA2BKDM4EALDH1A1PTPN1
SCHEMBL7417390 0.86 ITGB3 (0.31) ITGB3ITGA2BKDM4EALDH1A1PTPN1
SCHEMBL9042071 0.85 POLB (0.41) ALDH1A1PTPN1
SCHEMBL27398646 0.84 ITGB3 (0.36) ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL9029392 0.84 OPRM1 (0.35) ITGB3ITGA2BKDM4EALDH1A1PTPN1
SCHEMBL7422020 0.83 ITGB3 (0.49) ITGB3ITGA2BKDM4EALDH1A1CA12
SCHEMBL9028218 0.83 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8122271 0.83 ITGB3 (0.36) ITGB3ITGA2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed