SCHEMBL6983379

SCHEMBL6983379

NN=Cc1ccc(NC(=O)CCC(=O)NC(CC(=O)O)c2cccnc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.69
ITGA2B P08514 12/20 0.69
ITGAV P06756 10/20 0.52
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9390838 0.91 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7391732 0.89 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7353558 0.89 ITGB3 (0.65) ITGB3ITGA2BKMT2A
SCHEMBL9389706 0.88 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7384981 0.85 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL9394280 0.84 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL6978255 0.82 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL8072019 0.81 ITGB3 (0.47) ITGB3ITGA2BITGAVKMT2ATDP1
SCHEMBL8075987 0.81 KMT2A (0.58) KMT2ATDP1
SCHEMBL7972470 0.79 ITGB3 (0.53) ITGB3ITGA2BITGAV

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
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP claimed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US claimed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP claimed