SCHEMBL8238548

SCHEMBL8238548

COC1C=CC=C(C2=CC=CC(C3(c4cccc(OS(=O)(=O)C(C)C)c4)N=C(N)N(C)C3=O)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.43
BACE2 Q9Y5Z0 11/20 0.43
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
APP P05067 1/20 0.35
CTSD P07339 1/20 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
SCHEMBL8231872 0.91 BACE1 (0.45) BACE1BACE2PRMT5WDR77APP
SCHEMBL8241158 0.89 BACE1 (0.43) BACE1BACE2PRMT5WDR77APP
SCHEMBL8237064 0.71 BACE1 (0.45) BACE1BACE2PRMT5WDR77APP
SCHEMBL8239579 0.71 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL8237872 0.68 BACE1 (0.34) BACE1BACE2PRMT5WDR77CTSD
SCHEMBL4528649 0.68 BACE1 (0.57) BACE1BACE2APPCTSD
SCHEMBL4805777 0.68 BACE1 (0.73) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4532172 0.67 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL8233330 0.66
SCHEMBL4519554 0.65 BACE1 (0.55) 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