SCHEMBL931686

SCHEMBL931686

CCc1cc(C2(c3cccc(Br)c3)N=C(C)C(N)=N2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.53
KCNH2 Q12809 4/20 0.46
BACE2 Q9Y5Z0 2/20 0.43
CTSD P07339 1/20 0.39
MC4R P32245 2/20 0.36
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 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
SCHEMBL932503 0.87 BACE1 (0.67) BACE1KCNH2BACE2CTSD
SCHEMBL932706 0.82 BACE1 (0.66) BACE1KCNH2BACE2CTSD
SCHEMBL932245 0.82 BACE1 (0.79) BACE1KCNH2BACE2CTSD
SCHEMBL932046 0.79 BACE1 (0.60) BACE1KCNH2BACE2CTSD
SCHEMBL933242 0.79 BACE1 (0.62) BACE1KCNH2BACE2CTSD
SCHEMBL932204 0.79 BACE1 (0.67) BACE1KCNH2BACE2
SCHEMBL933512 0.77 BACE1 (0.63) BACE1KCNH2BACE2CTSD
SCHEMBL945865 0.76 ALDH1A1 (0.35) BACE1BACE2CTSDMC4RMAPT
SCHEMBL932108 0.75 BACE1 (0.62) BACE1KCNH2BACE2CTSD
SCHEMBL932111 0.75 BACE1 (0.47) BACE1KCNH2BACE2CTSDMAPT

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 3 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
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