SCHEMBL6744015

SCHEMBL6744015

Nc1ccc(N2CC[N+](CCO)(CCO)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GFER P55789 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46

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 SCHEMBL5364443 0.98 MAPT (0.46) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL6744328 0.94 MAPT (0.50) MAPTALDH1A1GAAKDM4EHTT
Hydrochloric Acid SCHEMBL5410295 0.92 MAPT (0.49) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL6745286 0.91 CHRNA10 (0.54) MAPTALDH1A1GAAKDM4EHTT
Hydrochloric Acid SCHEMBL5351935 0.89 CHRNA10 (0.52) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL6742112 0.85 CHRNA10 (0.49) MAPTALDH1A1GAAKDM4EHTT
Hydrochloric Acid SCHEMBL5352676 0.84 CHRNA10 (0.48) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL5351218 0.83 MAPT (0.47) MAPTALDH1A1GAAKDM4EHTT
Hydrochloric Acid SCHEMBL5349721 0.82 MAPT (0.46) MAPTALDH1A1GAAKDM4EHTT
Hydrochloric Acid SCHEMBL5358867 0.81 MAPT (0.46) MAPTALDH1A1GAAKDM4EHTT

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