SCHEMBL6983016

SCHEMBL6983016

CC(C)OC(=O)C(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.47
ITGA2B P08514 10/20 0.47
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6981952 0.91 ALDH1A1 (0.49) ITGB3ITGA2BKMT2AKDM4EALDH1A1
SCHEMBL6984397 0.86 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL6985725 0.85 ITGB3 (0.43) ITGB3ITGA2BKMT2AHTT
SCHEMBL6983967 0.74 ITGB3 (0.51) ITGB3ITGA2BKDM4EALDH1A1MAPT
SCHEMBL7347870 0.73 ITGB3 (0.57) ITGB3ITGA2BMAPTHTTTDP1
SCHEMBL7347363 0.73 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7348941 0.71 ITGB3 (0.57) ITGB3ITGA2BMAPTTDP1
SCHEMBL6983606 0.71 ITGB3 (0.39) ITGB3ITGA2BKDM4E
SCHEMBL7347948 0.71 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL13714942 0.69 ITGB3 (0.70) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
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