SCHEMBL6746047

SCHEMBL6746047

Cc1cc(N2CC[N+](C)(CCCN3CCCC3)CC2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
RAD52 P43351 1/20 0.51
KCNH2 Q12809 6/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
S100B P04271 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37

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
Hydrochloric Acid SCHEMBL5352494 0.99 GAA (0.50) GAARAD52KCNH2MAPTMAPK1
SCHEMBL6744572 0.96 GAA (0.48) GAARAD52KCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL5355166 0.95 GAA (0.47) GAARAD52KCNH2MAPTMAPK1
SCHEMBL5707909 0.90 GAA (0.58) GAARAD52KCNH2MAPTMAPK1
SCHEMBL5707924 0.90 GAA (0.54) GAARAD52KCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL5707964 0.89 GAA (0.56) GAARAD52KCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL5707952 0.89 GAA (0.53) GAARAD52KCNH2MAPTMAPK1
SCHEMBL6746551 0.83 MAPT (0.46) GAARAD52KCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL5345638 0.82 MAPT (0.45) GAARAD52KCNH2MAPTMAPK1
SCHEMBL6746520 0.81 GAA (0.54) GAARAD52MAPTMAPK1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462091-A1 Composition for dyeing of keratinic fibers comprising a cationic derivative of p-phenylenediamine substituted by a diazacyclohexane or a diazacyloheptane L'OREAL (FR) 2004-09-29 EP claimed
US-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 US disclosed