SCHEMBL6748728

SCHEMBL6748728

COCC[N+]1(C)CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KDM4E B2RXH2 4/20 0.45
GFER P55789 4/20 0.45
GAA P10253 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAD52 P43351 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
ADRA2C P18825 1/20 0.45
PTK2B Q14289 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42

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 SCHEMBL5354633 0.98 MAPT (0.44) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6744026 0.82 GAA (0.51) MAPTKDM4EGAARAD52ALDH1A1
SCHEMBL5351218 0.81 MAPT (0.47) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5365780 0.81 GAA (0.50) MAPTKDM4EGAARAD52ALDH1A1
Hydrochloric Acid SCHEMBL5349721 0.80 MAPT (0.46) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6744524 0.79 CHRNA10 (0.56) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5358867 0.79 MAPT (0.46) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5350248 0.78 CHRNA10 (0.55) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6742559 0.77 MAPT (0.47) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6746551 0.75 MAPT (0.46) MAPTKDM4EGFERGAASMN1; SMN2

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