SCHEMBL4668064

SCHEMBL4668064

O=C(CCl)Nc1cc([N+](=O)[O-])ccc1NCCO

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.61
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 8/20 0.52
MEN1 O00255 9/20 0.49
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.49
THRB P10828 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL126989 0.85 KMT2A (0.70) KMT2ATSHRTDP1ALDH1A1MEN1
SCHEMBL29390514 0.85 KMT2A (0.70) KMT2ATSHRTDP1ALDH1A1MEN1
SCHEMBL30957599 0.82 SMN1; SMN2 (0.54) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL24900545 0.82 SMN1; SMN2 (0.54) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL16098940 0.80 KMT2A (0.71) KMT2ATDP1ALDH1A1MEN1MAPT
SCHEMBL8751609 0.80 CXCR1 (0.58) KMT2ATDP1ALDH1A1MEN1MAPT
SCHEMBL6811631 0.80 MAPT (0.67) KMT2ATSHRTDP1ALDH1A1MEN1
SCHEMBL30168150 0.79 ALDH1A1 (0.67) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL16098448 0.79 ALDH1A1 (0.67) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL29979179 0.79 LMNA (0.64) KMT2AALDH1A1MEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203762-B1 Cationic oxidation bases, their use for oxidation dyeing of keratin fibres, dyeing compositions and dyeing methods OREAL (FR) 2008-07-02 EP disclosed
EP-0928289-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP disclosed
US-6638321-B1 Oxidation color dyes for hair from aniline compounds L'OREAL (FR) 2003-10-28 US disclosed
US-6565614-B1 Mixture containing quaternary ammonium compound L'OREAL (FR) 2003-05-20 US disclosed
EP-1203762-A2 Cationic oxidation bases, their use for oxidation dyeing of keratin fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2002-05-08 EP disclosed
EP-0968171-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2000-01-05 EP disclosed
EP-0928289-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-07-14 EP disclosed
WO-1999003819-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-01-28 WO disclosed
WO-1999003836-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-01-28 WO disclosed