SCHEMBL6168627

SCHEMBL6168627

Cc1nn(C)c(NCCC[N+](C)(C)CCO)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 3/20 0.34
BLM P54132 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 2/20 0.32

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 SCHEMBL7125063 0.99 PKM (0.39) PKMMAPTTDP1CYP1A2POLB
SCHEMBL2928084 0.79 DNM1 (0.33)
SCHEMBL6168001 0.79 PKM (0.44) PKMMAPTTDP1CYP1A2POLB
Hydrochloric Acid SCHEMBL6165783 0.78 DNM1 (0.32)
Hydrochloric Acid SCHEMBL7125169 0.77 DNM1 (0.31)
SCHEMBL8780365 0.75 PKM (0.53) PKMMAPTTDP1CYP1A2POLB
SCHEMBL27540293 0.75 PKM (0.49) PKMMAPTTDP1CYP1A2POLB
Hydrochloric Acid SCHEMBL7112027 0.74 PKM (0.51) PKMMAPTTDP1CYP1A2POLB
SCHEMBL6167007 0.72 MAPT (0.37) PKMMAPTTDP1CYP1A2POLB
Hydrochloric Acid SCHEMBL7126153 0.71 MAPT (0.36) PKMMAPTTDP1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147090-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR DYEING KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2005-11-23 EP disclosed
EP-1147090-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR DYEING KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-10-24 EP disclosed
WO-2000043367-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR DYEING KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed