SCHEMBL5140925

SCHEMBL5140925

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.40
BRD4 O60885 1/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
CTSD P07339 1/20 0.37
PGR P06401 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CHEK1 O14757 1/20 0.34
KCNH2 Q12809 3/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.33
ALKBH3 Q96Q83 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL5069130 0.90 BACE1 (0.42) BACE1BRD4BACE2CTSDPGR
SCHEMBL5063659 0.86 BACE1 (0.40) BACE1BRD4BACE2CTSDPGR
SCHEMBL5066445 0.85
SCHEMBL5067184 0.84 BACE1 (0.39) BACE1BRD4BACE2CTSDPGR
SCHEMBL5067182 0.82 BACE1 (0.40) BACE1BACE2CHEK1KCNH2GAA
SCHEMBL4519233 0.82 BACE1 (0.42) BACE1BRD4BACE2CTSDKCNH2
SCHEMBL5067256 0.81 BACE1 (0.39) BACE1BRD4BACE2CTSDPGR
SCHEMBL5069294 0.76 BACE1 (0.43) BACE1BACE2CTSDKCNH2
SCHEMBL5063558 0.75 BACE1 (0.37) BACE1BACE2CTSDPGR
SCHEMBL4805777 0.74 BACE1 (0.73) 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 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