SCHEMBL5069130

SCHEMBL5069130

COc1cccc(-c2cccc(C3(c4cccc(OS(C)(=O)=O)c4)C(=O)NC(=S)N3C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.42
BRD4 O60885 2/20 0.39
PGR P06401 1/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
CTSD P07339 1/20 0.39
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CHEK1 O14757 1/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 4/20 0.35

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
SCHEMBL5067184 0.94 BACE1 (0.39) BACE1BRD4PGRBACE2CTSD
SCHEMBL5063659 0.90 BACE1 (0.40) BACE1BRD4PGRBACE2CTSD
SCHEMBL5140925 0.90 BACE1 (0.40) BACE1BRD4PGRBACE2CTSD
SCHEMBL5069294 0.85 BACE1 (0.43) BACE1BACE2CTSDKCNH2
SCHEMBL5067182 0.85 BACE1 (0.40) BACE1BACE2CHEK1GAAKCNH2
SCHEMBL5067256 0.84 BACE1 (0.39) BACE1BRD4PGRBACE2CTSD
SCHEMBL5063558 0.84 BACE1 (0.37) BACE1PGRBACE2CTSD
SCHEMBL4735172 0.84 DRD2 (0.32) GAA
SCHEMBL4734194 0.82 BACE1 (0.35) BACE1BRD4PGRBACE2CTSD
SCHEMBL4516614 0.81 BACE1 (0.44) BACE1BRD4PGRBACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979324-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 Astra Zeneca AB (SE) 2008-10-15 EP disclosed
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