SCHEMBL6574005

SCHEMBL6574005

COc1cc([N+](=O)[O-])ccc1NCCBr

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
PKM P14618 2/20 0.58
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 6/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
EPHX1 P07099 1/20 0.51
MEN1 O00255 3/20 0.50

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
SCHEMBL56823 0.86 HTT (0.58) HTTPKMTSHRTDP1ALDH1A1
SCHEMBL9681150 0.86 LMNA (0.60) HTTPKMTSHRTDP1ALDH1A1
SCHEMBL29390085 0.86 TSHR (0.73) HTTPKMTSHRTDP1ALDH1A1
SCHEMBL111537 0.86 TSHR (0.73) HTTPKMTSHRTDP1ALDH1A1
SCHEMBL27510433 0.84 HTT (0.57) HTTPKMTSHRTDP1ALDH1A1
SCHEMBL9760920 0.84 LMNA (0.55) HTTPKMTSHRTDP1ALDH1A1
SCHEMBL21280225 0.84 HTT (0.62) HTTPKMALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL9760063 0.83 LMNA (0.54) HTTPKMTSHRTDP1ALDH1A1
SCHEMBL14242999 0.82 CYP19A1 (0.58) HTTPKMTSHRTDP1ALDH1A1
SCHEMBL9760189 0.82 TSHR (0.57) HTTPKMTSHRTDP1ALDH1A1

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 5 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
US-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed