SCHEMBL9253557

SCHEMBL9253557

CCOC(=O)C(CNC(=O)C1CCC1C(=O)Nc1ccc(C(=N)N)cc1)c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.44
F2 P00734 5/20 0.44
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
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
HTT P42858 3/20 0.38
ABL1 P00519 1/20 0.38
MAPT P10636 1/20 0.38
RIN1 Q13671 1/20 0.38
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
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL9253393 0.80 RAB9A (0.43) F7F2RAB9AALDH1A1NPC1
SCHEMBL9260668 0.80 RAB9A (0.41) F7F2RAB9AALDH1A1NPC1
SCHEMBL9264604 0.79 F7 (0.41) F7F2RAB9AALDH1A1NPC1
SCHEMBL7417189 0.75 F2 (0.43) F7F2RAB9AALDH1A1NPC1
SCHEMBL8504027 0.75 F2 (0.43) F7F2RAB9AALDH1A1NPC1
SCHEMBL9262542 0.74 F2 (0.44) F2RAB9ANPC1TP53CYP1A2
SCHEMBL7352341 0.71 F7 (0.47) F7F2F10ITGB3ITGA2B
SCHEMBL7344436 0.71 F7 (0.47) F7F2F10ITGB3ITGA2B
SCHEMBL9264977 0.70 F2 (0.41) F7F2RAB9AALDH1A1CYP2C19
SCHEMBL9558494 0.70 ITGB3 (0.51) F7F2RAB9AF10ITGB3

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