SCHEMBL6570557

SCHEMBL6570557

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
RECQL P46063 1/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
QPCT Q16769 1/20 0.52
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
CLK1 P49759 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP19A1 P11511 3/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 0.84 POLB (0.55) ALDH1A1POLBKDM4EMAPTMAOA
SCHEMBL6572180 0.84 POLB (0.55) ALDH1A1POLBKDM4EMAPTMAOA
SCHEMBL6573894 0.79 RECQL (0.53) ALDH1A1RECQLPOLBKDM4EMAPT
SCHEMBL5189230 0.79 QPCT (0.69) ALDH1A1POLBKDM4EMAPTMAOA
SCHEMBL5903400 0.77 POLB (0.66) ALDH1A1POLBMAPTMAOAMAOB
SCHEMBL9373869 0.76 RECQL (0.66) ALDH1A1RECQLPOLBKDM4EMAPT
SCHEMBL1539978 0.75 RIPK1 (0.53) ALDH1A1POLBKDM4EMAPTMAOA
SCHEMBL9940645 0.75 MAPT (0.54) ALDH1A1POLBKDM4EMAPTQPCT
SCHEMBL9849431 0.74 MAOA (0.56) ALDH1A1POLBKDM4EMAPTMAOA
SCHEMBL8434723 0.74 RECQL (0.70) ALDH1A1RECQLKDM4EMAPTLMNA

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 4 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
US-6638321-B1 Oxidation color dyes for hair from aniline compounds L'OREAL (FR) 2003-10-28 US 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-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