SCHEMBL931666

SCHEMBL931666

COc1c(C)cc(C2(c3cccc(-c4cccc(O)c4)c3)N=C(C)C(N)=N2)cc1C

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.74
BACE2 Q9Y5Z0 1/20 0.74
KCNH2 Q12809 5/20 0.64
FYN P06241 2/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 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
SCHEMBL932012 0.86 BACE1 (0.78) BACE1BACE2KCNH2
SCHEMBL6921764 0.85 BACE1 (1.00) BACE1BACE2KCNH2
SCHEMBL931639 0.85 BACE1 (1.00) BACE1BACE2KCNH2
SCHEMBL931641 0.85 BACE1 (1.00) BACE1BACE2KCNH2
SCHEMBL932576 0.84 BACE1 (0.82) BACE1BACE2KCNH2
SCHEMBL932133 0.84 BACE1 (0.78) BACE1BACE2KCNH2
SCHEMBL932004 0.83 BACE1 (0.69) BACE1BACE2KCNH2
SCHEMBL932107 0.83 BACE1 (0.72) BACE1BACE2KCNH2FYNHSD17B1
SCHEMBL1073622 0.82 BACE1 (0.71) BACE1BACE2KCNH2
SCHEMBL932170 0.81 BACE1 (0.64) BACE1BACE2KCNH2

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
WO-2011002407-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO claimed
WO-2011002407-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