SCHEMBL8220071

SCHEMBL8220071

Cc1cccc(C2(c3ccncc3)NC(=S)N3CCCN=C32)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.45
BACE2 Q9Y5Z0 8/20 0.37
APP P05067 1/20 0.37
CTSD P07339 5/20 0.36
HDAC8 Q9BY41 3/20 0.34
HDAC5 Q9UQL6 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
POLB P06746 1/20 0.34
EGFR P00533 1/20 0.32
PRKACA P17612 1/20 0.32
FRK P42685 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
NEK4 P51957 1/20 0.32
PRKCD Q05655 1/20 0.32
SLK Q9H2G2 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL8220079 0.92 BACE1 (0.44) BACE1BACE2APPCTSDHDAC8
SCHEMBL4889010 0.87 BACE1 (0.45) BACE1BACE2APPCTSDHDAC8
SCHEMBL8224090 0.82 BACE1 (0.44) BACE1BACE2APPCTSDHDAC8
SCHEMBL8224108 0.81 BACE1 (0.47) BACE1EGFRPRKACAFRKGSK3A
SCHEMBL4883509 0.79 BACE1 (0.45) BACE1BACE2APPCTSDHDAC8
SCHEMBL13016530 0.76 BACE1 (0.39) BACE1BACE2APPCTSDPOLB
SCHEMBL4887798 0.75 BACE1 (0.44) BACE1BACE2APPCTSDHDAC8
SCHEMBL4883711 0.75 BACE1 (0.48) BACE1BACE2APPCTSD
SCHEMBL8217676 0.75 BACE1 (0.37) BACE1CTSDHDAC8HDAC5HDAC4
SCHEMBL4882001 0.74 BACE1 (0.43) BACE1BACE2APPCTSDHDAC8

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-2007145569-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed