SCHEMBL5134481

SCHEMBL5134481

COc1cc(OS(C)(=O)=O)cc(-c2cccc(C3(c4cscn4)NC(N)N(C)C3=O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.40
BACE2 Q9Y5Z0 4/20 0.35
CTSD P07339 2/20 0.35
KCNH2 Q12809 2/20 0.30

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
SCHEMBL4519240 0.85 BACE1 (0.40) BACE1BACE2CTSD
SCHEMBL4533704 0.79 BACE1 (0.62) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL5137186 0.73 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL4530723 0.72 BACE1 (0.40) BACE1BACE2CTSD
SCHEMBL5134308 0.71 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL4520792 0.71 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL5135553 0.70 BACE1 (0.42) BACE1BACE2CTSD
SCHEMBL4520910 0.70 BACE1 (0.40) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4785825 0.70 BACE1 (0.36) BACE1BACE2CTSD
SCHEMBL4520245 0.70 BACE1 (0.46) BACE1BACE2CTSDKCNH2

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