SCHEMBL932144

SCHEMBL932144

NC1=NC(c2ccc(F)cc2)(c2cccc(Br)c2)N=C1S

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.46
NPY5R Q15761 1/20 0.37
CTSD P07339 2/20 0.37
KCNH2 Q12809 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 1/20 0.32
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL933512 0.84 BACE1 (0.63) BACE1NPY5RCTSDKCNH2
SCHEMBL932350 0.83 BACE1 (0.50) BACE1CTSDKCNH2
SCHEMBL932551 0.83 BACE1 (0.40) BACE1CTSDKCNH2
SCHEMBL932646 0.81 BACE1 (0.46) BACE1NPY5RCTSDKCNH2MEN1
SCHEMBL932676 0.79 MAPT (0.38) BACE1CTSDMEN1KMT2AMAOB
SCHEMBL933481 0.77 BACE1 (0.39) BACE1CTSDKCNH2HCAR3HCAR2
SCHEMBL932682 0.76 BACE1 (0.53) BACE1CTSDKCNH2MAOB
SCHEMBL932046 0.71 BACE1 (0.60) BACE1CTSDKCNH2
SCHEMBL932108 0.69 BACE1 (0.62) BACE1CTSDKCNH2
SCHEMBL932706 0.68 BACE1 (0.66) BACE1CTSDKCNH2

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 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