SCHEMBL6152146

SCHEMBL6152146

Cc1cc(N2CCN(C(=O)Cn3cc[n+](C)c3)CCN(c3ccc(N)c(C)c3)CC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
RAD52 P43351 1/20 0.47
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CCR1 P32246 4/20 0.40
HTT P42858 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GFER P55789 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL5707960 1.00 GAA (0.47) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5707967 0.99 GAA (0.46) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6415215 0.99 GAA (0.46) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5707927 0.95 GAA (0.43) GAARAD52ALDH1A1LMNAMAPT
SCHEMBL5707942 0.85 GFER (0.52) GAARAD52ALDH1A1LMNAMAPT
SCHEMBL6151900 0.85 GFER (0.52) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6417931 0.84 GFER (0.51) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5707947 0.84 GFER (0.51) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5707949 0.80 GFER (0.47) GAARAD52ALDH1A1LMNAMAPT
SCHEMBL5707930 0.79 GAA (0.58) GAARAD52MAPTKDM4EHSD17B10

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
EP-1518860-A1 Triazacyclononane derivatives substituted on at least one of the nitrogene atoms by a 4-aminophenyle group for dyeing keratinic fibres L'OREAL (FR) 2005-03-30 EP claimed