SCHEMBL6167007

SCHEMBL6167007

Cc1nn(C)c(NCCCn2cc[n+](CCO)c2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 1/20 0.34
PKM P14618 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.32
POLB P06746 2/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NTSR1 P30989 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.31
CYP19A1 P11511 1/20 0.31

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 SCHEMBL7126153 0.99 MAPT (0.36) MAPTTDP1PKMCYP1A2GAA
SCHEMBL2923544 0.82 MEN1 (0.30)
Hydrochloric Acid SCHEMBL6167114 0.81
Hydrochloric Acid SCHEMBL6164747 0.81
Hydrochloric Acid SCHEMBL7131965 0.81
SCHEMBL6168164 0.76 ALDH1A1 (0.53) MAPTPOLBALDH1A1LMNACYP19A1
Hydrochloric Acid SCHEMBL5718428 0.74 ALDH1A1 (0.44) MAPTPKMGAAALDH1A1
SCHEMBL6168001 0.72 PKM (0.44) MAPTTDP1PKMCYP1A2POLB
SCHEMBL6168627 0.72 PKM (0.40) MAPTTDP1PKMCYP1A2GAA
Hydrochloric Acid SCHEMBL7125063 0.71 PKM (0.39) MAPTTDP1PKMCYP1A2GAA

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