SCHEMBL6891196

SCHEMBL6891196

COc1cccc(-c2cccc([C@]3(Cc4cccnc4)N=C(C)C(N)=N3)c2)c1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.52
APP P05067 2/20 0.46
KCNH2 Q12809 3/20 0.46
CTSD P07339 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
REN P00797 1/20 0.38

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
SCHEMBL6892507 1.00 BACE1 (0.52) BACE1APPKCNH2CTSDBACE2
SCHEMBL931789 1.00 BACE1 (0.52) BACE1APPKCNH2CTSDBACE2
SCHEMBL946753 0.76 BACE1 (0.62) BACE1APPKCNH2BACE2
SCHEMBL6892614 0.76 BACE1 (0.62) BACE1APPKCNH2BACE2
SCHEMBL6894146 0.76 BACE1 (0.56) BACE1APPKCNH2ALDH1A1
SCHEMBL3776518 0.70 BACE1 (0.59) BACE1APPKCNH2CTSDBACE2
SCHEMBL932353 0.70 BACE1 (0.69) BACE1KCNH2BACE2
SCHEMBL931592 0.69 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL932732 0.69 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL2086507 0.69 BACE1 (0.52) BACE1APPKCNH2CTSDBACE2

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