SCHEMBL945249

SCHEMBL945249

CC1=NC(c2cccc(Br)c2)(C2CC2)NC1=S

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
BACE1 P56817 3/20 0.32
CTSD P07339 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL945466 0.95 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL945271 0.80 PARP1 (0.30)
SCHEMBL18927239 0.79 LMNA (0.33) BACE1ALDH1A1
SCHEMBL21654362 0.78 BACE1 (0.39) BACE1ALDH1A1
SCHEMBL18562904 0.76 BACE1 (0.41) BACE1
SCHEMBL943316 0.73 ALDH1A1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL21654400 0.73 BACE1 (0.32) BACE1
SCHEMBL1082670 0.72 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL18927279 0.71 BACE1 (0.31) BACE1
SCHEMBL944396 0.71 NCOA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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