SCHEMBL6982666

SCHEMBL6982666

CCOC(=O)C(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1F)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
TMPRSS15 P98073 7/20 0.37
PLAU P00749 1/20 0.37
HPN P05981 1/20 0.37
F7 P08709 1/20 0.37
F10 P00742 2/20 0.35
TP53 P04637 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
GAA P10253 1/20 0.34
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34
PRSS1 P07477 1/20 0.34
KLKB1 P03952 1/20 0.34
PKM P14618 1/20 0.33
F2 P00734 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
SCHEMBL6982101 0.84 F7 (0.39) TMPRSS15PLAUHPNF7F10
SCHEMBL6980649 0.81 ADORA2A (0.41) ADORA2AF7F10ITGB3ITGA2B
SCHEMBL6984634 0.81 ITGB3 (0.46) TMPRSS15F7F10ITGB3ITGA2B
SCHEMBL6972650 0.78 ITGB3 (0.38) TMPRSS15F7F10ITGB3ITGA2B
SCHEMBL6983774 0.77 ADORA2A (0.40) ADORA2AADORA1HDAC3HDAC1TMPRSS15
SCHEMBL9262142 0.75 F7 (0.43) PLAUF7F10ITGB3ITGA2B
SCHEMBL6977286 0.74 ITGB3 (0.53) ADORA2AF7F10ITGB3ITGA2B
SCHEMBL6979842 0.73 FPR2 (0.38) TMPRSS15PLAUHPNF7F10
SCHEMBL9264604 0.73 F7 (0.41) F7F10TP53GAAF2
SCHEMBL6980170 0.71 KLK1 (0.39) ADORA2AADORA1HDAC3HDAC1PLAU

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