SCHEMBL9264604

SCHEMBL9264604

CCOC(=O)C(CNC(=O)C1CC1C(=O)Nc1ccc(C(=N)N)cc1)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 0.41
RAB9A P51151 6/20 0.40
F2 P00734 3/20 0.39
NAMPT P43490 5/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
F3 P13726 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 4/20 0.38
SCN3A Q9NY46 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9262142 0.83 F7 (0.43) F7RAB9AF2NAMPTF10
SCHEMBL9253557 0.79 F7 (0.44) F7RAB9AF2F10PLG
SCHEMBL9260668 0.79 RAB9A (0.41) F7RAB9AF2NAMPTALDH1A1
SCHEMBL9264625 0.77 F7 (0.40) F7F2NAMPTF10PLG
SCHEMBL6984634 0.76 ITGB3 (0.46) F7F2F10PLGF3
SCHEMBL9253393 0.76 RAB9A (0.43) F7RAB9AF2NAMPTF10
SCHEMBL6980649 0.74 ADORA2A (0.41) F7RAB9AF2NAMPTF10
SCHEMBL6972650 0.73 ITGB3 (0.38) F7F2F10PLGF3
SCHEMBL6982666 0.73 ADORA2A (0.41) F7F2F10GAATP53
SCHEMBL9263614 0.72 KLK5 (0.40) F7F2F10F3

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