SCHEMBL6742559

SCHEMBL6742559

C[N+]1(CCO)CCCN(c2ccc(N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GFER P55789 4/20 0.43
SMN1; SMN2 Q16637 4/20 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
Hydrochloric Acid SCHEMBL5345764 0.99 MAPT (0.46) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL5351218 0.94 MAPT (0.47) MAPTALDH1A1KDM4EGAAKMT2A
Hydrochloric Acid SCHEMBL5349721 0.93 MAPT (0.46) MAPTALDH1A1KDM4EGAAKMT2A
Hydrochloric Acid SCHEMBL5358867 0.91 MAPT (0.46) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL6746547 0.83 GAA (0.49) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL6744328 0.82 MAPT (0.50) MAPTALDH1A1KDM4EGAAKMT2A
Hydrochloric Acid SCHEMBL5403739 0.82 GAA (0.48) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL6748711 0.81 MAPT (0.46) MAPTALDH1A1KDM4EGAAKMT2A
Hydrochloric Acid SCHEMBL5410295 0.81 MAPT (0.49) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL6742112 0.81 CHRNA10 (0.49) MAPTALDH1A1KDM4EGAAKMT2A

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