SCHEMBL8239579

SCHEMBL8239579

COC1C=CC=C(c2cccc(C3(c4cccc(OS(=O)(=O)N5CCOCC5)c4)N=C(N)N(C)C3=O)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.46
BACE2 Q9Y5Z0 3/20 0.44
CTSD P07339 2/20 0.44

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
Hydrochloric Acid SCHEMBL4532280 0.83 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL4517342 0.81 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL4517698 0.80 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL4522756 0.80 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL4529144 0.79 BACE1 (0.66) BACE1BACE2CTSD
SCHEMBL4525764 0.78 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL4535412 0.78 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL8231872 0.72 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL8241158 0.71 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL8238548 0.71 BACE1 (0.43) BACE1BACE2CTSD

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-2007058602-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA. ASTRAZENECA AB (SE) 2007-05-24 WO disclosed