SCHEMBL932554

SCHEMBL932554

COc1c(C)cc(C2(c3cccc(-c4ccc(C(=O)N5CCCCC5)cc4)c3)N=C(C)C(N)=N2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.59
BACE2 Q9Y5Z0 1/20 0.59
KCNH2 Q12809 2/20 0.53
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ERN1 O75460 1/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
MAPK14 Q16539 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
SCHEMBL932170 0.77 BACE1 (0.64) BACE1BACE2KCNH2ALDH1A1
SCHEMBL932590 0.76 BACE1 (0.66) BACE1BACE2KCNH2
SCHEMBL931639 0.75 BACE1 (1.00) BACE1BACE2KCNH2
SCHEMBL931641 0.75 BACE1 (1.00) BACE1BACE2KCNH2
SCHEMBL932158 0.75 BACE1 (0.59) BACE1BACE2KCNH2
SCHEMBL943934 0.75 BACE1 (0.67) BACE1BACE2KCNH2
SCHEMBL932633 0.74 BACE1 (0.60) BACE1BACE2KCNH2
SCHEMBL933082 0.72 BACE1 (0.67) BACE1BACE2KCNH2
SCHEMBL931694 0.70 BACE1 (0.73) BACE1BACE2KCNH2
SCHEMBL932273 0.68 BACE1 (0.56) 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 1 patent. 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 disclosed