SCHEMBL29930859

SCHEMBL29930859

CCOC(=O)C[n+]1ccc(C=Cc2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.51
CHRM4 P08173 2/20 0.51
CHRM5 P08912 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.46
ALDH1A1 P00352 9/20 0.45
ALDH3A1 P30838 1/20 0.45
ALDH1A3 P47895 1/20 0.45
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 3/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 2/20 0.44
TLR9 Q9NR96 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL19506334 1.00 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL19469280 0.99 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL19469275 0.99 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL8848908 0.85 CA12 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19519178 0.85 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL5279859 0.85 CA12 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19506338 0.85 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL19469279 0.83 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL19469278 0.83 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL28793443 0.83 AOC3 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3

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
CN-109414495-B Therapeutic inhibitors of EBV-associated tumors with tailored responsive optical imaging 香港浸会大学 2022-07-19 CN disclosed