SCHEMBL9258794

SCHEMBL9258794

N=C(N)c1ccc(NC(=O)C2CCCCC2C(=O)NCC(C(=O)O)n2ccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.44
CYP2C19 P33261 1/20 0.42
KLK5 Q9Y337 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PLAU P00749 4/20 0.39
HPN P05981 4/20 0.39
F7 P08709 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9258807 0.83 GAA (0.38) CYP2C19GAAMAPTKDM4EHTT
SCHEMBL9257981 0.76 F2 (0.43) F2CYP2C19KLK5GAAMAPT
SCHEMBL7361739 0.74 CYP2C19 (0.67) F2CYP2C19KLK5GAAMAPT
SCHEMBL9258802 0.74 F2 (0.45) F2CYP2C19KLK5GAAMAPT
SCHEMBL9262498 0.74 F2 (0.45) F2CYP2C19KLK5GAAMAPT
SCHEMBL6984397 0.73 ITGB3 (0.46) F2SMN1; SMN2
SCHEMBL9572188 0.72 KLK5 (0.50) F2KLK5GAAMAPTSMN1; SMN2
SCHEMBL9264866 0.72 F2 (0.42) F2CYP2C19KLK5PLAUHPN
SCHEMBL6983967 0.70 ITGB3 (0.51) F2MAPTPLAUF7KDM4E
SCHEMBL9264977 0.70 F2 (0.41) F2CYP2C19KLK5F7

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
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