SCHEMBL6748663

SCHEMBL6748663

C[N+]1(C)CCCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
LMNA P02545 1/20 0.60
SIRT6 Q8N6T7 2/20 0.58
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
ADRB1 P08588 1/20 0.54
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
CHRNB2 P17787 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
APOBEC3A P31941 1/20 0.47
PMP22 Q01453 1/20 0.47

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 SCHEMBL5405239 0.98 MAPT (0.64) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL5357616 0.94 SIRT6 (0.65) MAPTLMNASIRT6ALDH1A1POLB
Hydrochloric Acid SCHEMBL5352144 0.92 SIRT6 (0.63) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL5393424 0.90 MAPT (0.54) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL5357980 0.83 SIRT6 (0.52) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL378458 0.82 MAPT (0.96) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL1851861 0.82 MAPT (0.89) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL223626 0.80 MAPT (1.00) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL7048817 0.80 MAPT (0.85) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL85552 0.80 MAPT (1.00) MAPTLMNASIRT6ALDH1A1POLB

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
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
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 disclosed