SCHEMBL6572180

SCHEMBL6572180

Cc1cc([N+](=O)[O-])ccc1NCCCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
QPCT Q16769 3/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
CYP19A1 P11511 3/20 0.53
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CRHBP P24387 1/20 0.47
CYP2C19 P33261 1/20 0.47
CRHR2 Q13324 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 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
SCHEMBL6573888 0.86 POLB (0.55) POLBQPCTMAOAMAOBCYP19A1
SCHEMBL6570557 0.84 ALDH1A1 (0.54) POLBQPCTMAOAMAOBCYP19A1
SCHEMBL5189230 0.82 QPCT (0.69) POLBQPCTMAOAMAOBCYP19A1
SCHEMBL4954687 0.80 MAPT (0.64) POLBKMT2AALDH1A1MAPTKDM4E
SCHEMBL5903400 0.79 POLB (0.66) POLBQPCTMAOAMAOBCYP19A1
SCHEMBL6571751 0.79 MAPT (0.46) POLBKMT2AALDH1A1MAPTKDM4E
SCHEMBL4951801 0.79 MAPT (0.62) POLBKMT2AALDH1A1MAPTKDM4E
SCHEMBL4952994 0.79 MAPT (0.62) POLBKMT2AALDH1A1MAPTKDM4E
SCHEMBL5189414 0.78 CYP19A1 (0.60) POLBQPCTMAOAMAOBCYP19A1
SCHEMBL5718326 0.78 QPCT (0.56) QPCTMAOBCYP19A1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0932602-B1 BASES OF CATIONIC OXIDATION, THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES, DYE COMPOSITIONS AND DYEING PROCESSES OREAL (FR) 2004-03-03 EP disclosed
US-6638321-B1 Oxidation color dyes for hair from aniline compounds L'OREAL (FR) 2003-10-28 US disclosed
US-6468316-B1 DIRECT DYES HAVING COLORFASTNESS AND SOLUBILITY, USED FOR HUMAN HAIR L'OREAL S.A. (FR) 2002-10-22 US disclosed
US-6270533-B1 DIAMINOBENZENE COMPOUND L'OREAL S.A. (FR) 2001-08-07 US disclosed
EP-1020176-A2 Use of cationic bis-nitrobenzenes for dyeing of keratinic fibers, dyeing compositions and dyeing process L'OREAL (FR) 2000-07-19 EP disclosed
EP-0932602-A2 BASES OF CATIONIC OXIDATION, THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES, DYE COMPOSITIONS AND DYEING PROCESSES L'OREAL (FR) 1999-08-04 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-1999003834-A2 CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND 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