SCHEMBL976638

SCHEMBL976638

CC1=NC(c2ccc(O)c(-c3cc(C#N)ccc3F)c2)(C2CC2)N=C1N

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.56
KCNH2 Q12809 5/20 0.56
APP P05067 11/20 0.45
BACE2 Q9Y5Z0 2/20 0.41
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL6891149 0.87 BACE1 (0.58) BACE1KCNH2APPBACE2
SCHEMBL932719 0.86 BACE1 (0.57) BACE1KCNH2APPBACE2
SCHEMBL931135 0.83 BACE1 (0.52) BACE1KCNH2APPBACE2KDM1A
SCHEMBL932326 0.74 BACE1 (0.56) BACE1KCNH2APPBACE2KDM1A
SCHEMBL931600 0.73 BACE1 (0.55) BACE1KCNH2APPBACE2
SCHEMBL932165 0.72 BACE1 (0.79) BACE1KCNH2APPBACE2
SCHEMBL931947 0.72 BACE1 (1.00) BACE1KCNH2APPBACE2
SCHEMBL931611 0.71 BACE1 (0.68) BACE1KCNH2BACE2
SCHEMBL931589 0.71 BACE1 (0.40) BACE1KCNH2APPBACE2
SCHEMBL931425 0.71 BACE1 (0.52) BACE1KCNH2APPBACE2KDM1A

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