SCHEMBL931798

SCHEMBL931798

CC1=NC(c2ccc(O)c(-c3cc(Cl)ccc3Cl)c2)(C2CC2)N=C1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.58
KCNH2 Q12809 5/20 0.58
BACE2 Q9Y5Z0 2/20 0.49
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
IDO1 P14902 2/20 0.32
HTR2B P41595 1/20 0.32
PDE4D Q08499 1/20 0.32
APP P05067 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
CDK9 P50750 1/20 0.31
RAB9A P51151 1/20 0.31
CDK5 Q00535 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL932719 0.90 BACE1 (0.57) BACE1KCNH2BACE2IDO1APP
SCHEMBL931425 0.88 BACE1 (0.52) BACE1KCNH2BACE2SCN10AAPP
SCHEMBL6891149 0.80 BACE1 (0.58) BACE1KCNH2BACE2APPCDK9
SCHEMBL931611 0.75 BACE1 (0.68) BACE1KCNH2BACE2
SCHEMBL932205 0.68 BACE1 (0.61) BACE1KCNH2BACE2APP
SCHEMBL943175 0.66 BACE1 (1.00) BACE1KCNH2BACE2APP
SCHEMBL931202 0.65 BACE1 (0.59) BACE1KCNH2BACE2APP
SCHEMBL932165 0.65 BACE1 (0.79) BACE1KCNH2BACE2APP
SCHEMBL931601 0.65 BACE1 (0.50) BACE1KCNH2BACE2ALDH1A1APP
SCHEMBL932236 0.63 BACE1 (0.53) BACE1KCNH2BACE2ALDH1A1APP

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