SCHEMBL946601

SCHEMBL946601

COc1c(-c2ccccc2)cccc1C1(C2CCOCC2)N=C(N)C(SC)=N1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.44
KCNH2 Q12809 1/20 0.44
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL1075786 0.87 BACE1 (0.58) BACE1KCNH2
SCHEMBL946602 0.80 BACE1 (0.57) BACE1KCNH2
SCHEMBL946784 0.75 BACE1 (0.76) BACE1KCNH2
SCHEMBL1076368 0.71 BACE1 (0.43) BACE1KCNH2
SCHEMBL1075789 0.66 BACE1 (0.74) BACE1KCNH2
SCHEMBL946600 0.65 TTK (0.33)
SCHEMBL946110 0.64 BACE1 (0.50) BACE1KCNH2ALOX5APFEN1
SCHEMBL943489 0.61 BACE1 (1.00) BACE1KCNH2
SCHEMBL13385087 0.59 PDE4B (0.48) ALOX5APFEN1
SCHEMBL3791228 0.59 ALDH1A1 (0.56) ALOX5APFEN1

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-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed