SCHEMBL932777

SCHEMBL932777

CC1=NC(Cc2ccccc2)(c2cccc(Br)c2)N=C1N

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.65
NPSR1 Q6W5P4 1/20 0.42
APP P05067 5/20 0.38
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.34
CTSD P07339 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAOB P27338 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
SCHEMBL6894146 0.86 BACE1 (0.56) BACE1NPSR1APPMEN1KMT2A
SCHEMBL6892288 0.86 BACE1 (0.67) BACE1APPIDO1MEN1KMT2A
SCHEMBL946696 0.84 BACE1 (0.46) BACE1NPSR1APPIDO1AGXT
SCHEMBL931863 0.83 BACE1 (0.46) BACE1NPSR1APPIDO1AGXT
SCHEMBL932309 0.83 BACE1 (0.44) BACE1APPKCNH2CTSD
SCHEMBL931592 0.79 BACE1 (1.00) BACE1KCNH2
SCHEMBL932732 0.79 BACE1 (1.00) BACE1KCNH2
SCHEMBL932046 0.77 BACE1 (0.60) BACE1APPKCNH2CTSD
SCHEMBL945358 0.74 BACE1 (0.58) BACE1APPKCNH2CTSD
SCHEMBL932274 0.73 BACE1 (0.43) BACE1NPSR1APPKCNH2

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