SCHEMBL6972650

SCHEMBL6972650

CCOC(=O)C(CNC(=O)CCC(=O)N(c1ccccc1)c1ccc(C(=N)N)cc1)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
F7 P08709 4/20 0.37
POLB P06746 1/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 4/20 0.35
TMPRSS15 P98073 3/20 0.34
F2 P00734 3/20 0.34
HTT P42858 1/20 0.34
SLC6A9 P48067 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL6984634 0.90 ITGB3 (0.46) ITGB3ITGA2BF7POLBKMT2A
SCHEMBL6981209 0.84 F7 (0.39) ITGB3ITGA2BF7TMPRSS15F2
SCHEMBL6982666 0.78 ADORA2A (0.41) ITGB3ITGA2BF7PKMTMPRSS15
SCHEMBL6980649 0.76 ADORA2A (0.41) ITGB3ITGA2BF7POLBKMT2A
SCHEMBL9262142 0.75 F7 (0.43) ITGB3ITGA2BF7PKMKMT2A
SCHEMBL6977286 0.74 ITGB3 (0.53) ITGB3ITGA2BF7F2F10
SCHEMBL9264604 0.73 F7 (0.41) F7KMT2AF2HTTF10
SCHEMBL6978828 0.71 ITGB3 (0.48) ITGB3ITGA2BF7POLBPKM
SCHEMBL6983606 0.70 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL9559169 0.70 ITGB3 (0.54) ITGB3ITGA2BF2F10

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 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