SCHEMBL6984634

SCHEMBL6984634

CCOC(=O)C(CNC(=O)CCC(=O)N(C)c1ccc(C(=N)N)cc1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
F7 P08709 3/20 0.39
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TMPRSS15 P98073 4/20 0.34
HTT P42858 1/20 0.34
F2 P00734 2/20 0.33
POLB P06746 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
F3 P13726 1/20 0.33

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
SCHEMBL6972650 0.90 ITGB3 (0.38) ITGB3ITGA2BF7KMT2AMEN1
SCHEMBL6982666 0.81 ADORA2A (0.41) ITGB3ITGA2BF7TMPRSS15F2
SCHEMBL6980649 0.79 ADORA2A (0.41) ITGB3ITGA2BF7KMT2AF2
SCHEMBL6978828 0.79 ITGB3 (0.48) ITGB3ITGA2BF7KMT2AHTT
SCHEMBL9262142 0.78 F7 (0.43) ITGB3ITGA2BF7KMT2AHTT
SCHEMBL9264604 0.76 F7 (0.41) F7KMT2AHTTF2F10
SCHEMBL6977286 0.74 ITGB3 (0.53) ITGB3ITGA2BF7F2F10
SCHEMBL6981209 0.73 F7 (0.39) ITGB3ITGA2BF7TMPRSS15HTT
SCHEMBL6976581 0.70 ITGB3 (0.48) ITGB3ITGA2BF7
SCHEMBL6978796 0.69 ITGB3 (0.48) ITGB3ITGA2BF2POLBF10

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