SCHEMBL5135553

SCHEMBL5135553

CN1C(=O)C(c2ccc(OS(C)(=O)=O)cc2)(c2cccc(-c3cccc(C#N)c3)c2)NC1N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.42
BACE2 Q9Y5Z0 3/20 0.42
CTSD P07339 1/20 0.40
PAX8 Q06710 1/20 0.36
PGR P06401 1/20 0.34
BRD4 O60885 1/20 0.34
MCHR1 Q99705 2/20 0.33
MMP2 P08253 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
SCHEMBL5134308 0.83 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL4525769 0.82 BACE1 (0.35) BACE1
Hydrochloric Acid SCHEMBL5137186 0.79 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL4509201 0.75 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL4781470 0.72 BACE1 (0.40) BACE1BACE2CTSDBRD4
SCHEMBL4848219 0.71 CA12 (0.35) BACE1BACE2CTSD
SCHEMBL5134481 0.70 BACE1 (0.40) BACE1BACE2CTSD
SCHEMBL5134703 0.70 FFAR1 (0.36) BACE1BACE2CTSD
SCHEMBL4787010 0.69 BACE1 (0.36) BACE1BACE2CTSD
SCHEMBL4525146 0.68 BACE1 (0.42) BACE1BACE2CTSDBRD4

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 claimed
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 claimed