SCHEMBL9253393

SCHEMBL9253393

CCOC(=O)C(CNC(=O)C1CCC1C(=O)Nc1ccc(C(=N)N)cc1)c1ccc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
F2 P00734 5/20 0.40
F7 P08709 3/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
PPM1B O75688 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
SCHEMBL9260668 0.80 RAB9A (0.41) RAB9AALDH1A1NPC1F2F7
SCHEMBL9253557 0.80 F7 (0.44) RAB9AALDH1A1NPC1F2F7
SCHEMBL9262542 0.79 F2 (0.44) RAB9ANPC1F2MAPTMEN1
SCHEMBL9264604 0.76 F7 (0.41) RAB9AALDH1A1NPC1F2F7
SCHEMBL9264977 0.74 F2 (0.41) RAB9AALDH1A1F2F7CYP2C19
SCHEMBL28132053 0.71 RAB9A (0.51) RAB9AALDH1A1NPC1HTTMAPT
SCHEMBL7344436 0.71 F7 (0.47) F2F7F10ITGB3ITGA2B
SCHEMBL7352341 0.71 F7 (0.47) F2F7F10ITGB3ITGA2B
SCHEMBL7417189 0.71 F2 (0.43) RAB9AALDH1A1NPC1F2F7
SCHEMBL8504027 0.71 F2 (0.43) RAB9AALDH1A1NPC1F2F7

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