Sugi Predict

Sugi Predict / Compounds / SCHEMBL4843153

SCHEMBL4843153

SCHEMBL4843153

COc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N3CC(C(N)=O)C(C)N=C32)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.61
▸ CTSD P07339 5/20 0.61
▸ BACE2 Q9Y5Z0 4/20 0.61
▸ KCNH2 Q12809 4/20 0.56
▸ CTSE P14091 1/20 0.49
▸ REN P00797 1/20 0.46

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
SCHEMBL5100468 0.80 BACE1 (0.71) BACE1CTSDBACE2KCNH2CTSE
SCHEMBL4016273 0.79 BACE1 (0.64) BACE1CTSDBACE2KCNH2CTSE
SCHEMBL4843127 0.79 BACE1 (0.64) BACE1CTSDBACE2KCNH2CTSE
SCHEMBL5103493 0.78 BACE1 (0.71) BACE1CTSDBACE2KCNH2CTSE
SCHEMBL5096533 0.78 BACE1 (0.73) BACE1CTSDBACE2KCNH2CTSE
SCHEMBL5103787 0.77 BACE1 (0.67) BACE1CTSDBACE2KCNH2CTSE
SCHEMBL4911547 0.76 BACE1 (0.68) BACE1CTSDBACE2KCNH2CTSE
SCHEMBL4066453 0.76 BACE1 (1.00) BACE1CTSDBACE2KCNH2REN
SCHEMBL5103807 0.76 BACE1 (1.00) BACE1CTSDBACE2KCNH2
SCHEMBL4843141 0.72 BACE1 (0.49) BACE1CTSDBACE2KCNH2CTSE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007145571-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 — — WO disclosed