SCHEMBL2876252

SCHEMBL2876252

COc1c(CCO)ccc([N+](=O)[O-])c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.43
TXNRD1 Q16881 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TPMT P51580 1/20 0.35

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
SCHEMBL9777720 0.84 CHEK1 (0.38) CHEK1MAPTALDH1A1MEN1KMT2A
SCHEMBL8992757 0.81 TSHR (0.42) CHEK1MAPTALDH1A1MEN1KMT2A
SCHEMBL27653571 0.80 TDP1 (0.39) CHEK1MAPTALDH1A1MAPK1LMNA
SCHEMBL16863642 0.78 TSHR (0.40) CHEK1MAPTALDH1A1MEN1KMT2A
SCHEMBL1437022 0.78 GPR35 (0.40) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL27649293 0.77 TDP1 (0.46) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1437854 0.77 HTT (0.40) CHEK1MAPTALDH1A1MEN1KMT2A
SCHEMBL9820333 0.77 SMN1; SMN2 (0.44) CHEK1TXNRD1MAPTALDH1A1MEN1
SCHEMBL11874413 0.76 HTT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL32670661 0.74 TDP1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981486-A Washfast, lightfast; for bleached or permed hair L'OREAL (FR) 1991-01-01 US claimed
CN-106924056-B Cosmetic composition for keratin fibers 莱雅公司 2021-03-09 CN disclosed
CN-107257797-B Use of azomethines bearing two pyrazolopyridine units for dyeing keratin fibres 欧莱雅 2020-04-17 CN disclosed
EP-2201070-A2 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE L'Oreal (FR) 2010-06-30 EP disclosed
EP-2170260-A1 AZO DERIVATIVES CONTAINING A PYRAZOLINONE UNIT FOR DYEING KERATIN FIBRES L'Oreal (FR) 2010-04-07 EP disclosed
WO-2009034059-A2 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE L'OREAL (FR) 2009-03-19 WO disclosed
EP-2032540-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A CATIONIC DIAZO DIRECT DYE CONTAINING A 2-IMIDAZOLIUM UNIT L'Oreal (FR) 2009-03-11 EP disclosed
EP-2010135-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'Oréal (FR) 2009-01-07 EP disclosed
WO-2009000753-A1 AZO DERIVATIVES CONTAINING A PYRAZOLINONE UNIT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2008-12-31 WO disclosed
WO-2008034650-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A CATIONIC DIAZO DIRECT DYE CONTAINING A 2-IMIDAZOLIUM UNIT L'OREAL (FR) 2008-03-27 WO disclosed
EP-1819779-A2 PARTICULAR DISSYMMETRICAL CATIONIC POLYAZO COMPOUNDS, COMPOSITIONS COMPRISING THEM AS DIRECT DYE, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE THEREFOR L'Oréal (FR) 2007-08-22 EP disclosed
EP-1819682-A1 SYMMETRICAL CATIONIC TETRAAZO COMPOUNDS, FOR DYEING KERATIN FIBRES L'Oréal (FR) 2007-08-22 EP disclosed
WO-2007080183-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'ORÉAL (FR) 2007-07-19 WO disclosed
WO-2006063867-A2 SYMMETRICAL DIAZO COMPOUNDS CONTAINING 3-PYRIDINIUM GROUPS AND A NON-CATIONIC LINKER, COMPOSITIONS COMRISISNG THEM, METHOD OF COLOURING, AND DEVICE L'ORÉAL (FR) 2006-06-22 WO disclosed
WO-2006056488-A1 SYMMETRICAL CATIONIC TETRAAZO COMPOUNDS, FOR DYEING KERATIN FIBRES L'OREAL (FR) 2006-06-01 WO disclosed
WO-2006056489-A2 PARTICULAR DISSYMMETRICAL CATIONIC POLYAZO COMPOUNDS, COMPOSITIONS COMPRISING THEM AS DIRECT DYE, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE THEREFOR L'OREAL (FR) 2006-06-01 WO disclosed
EP-1660032-A1 COMPOSITION FOR DYEING HUMAN KERATIN FIBRES, COMPRISING A 1H-PYRAZOLYL-ETHENYL-INDOLIUM DERIVATIVE L'OREAL (FR) 2006-05-31 EP disclosed
WO-2005013929-A1 COMPOSITION FOR DYEING HUMAN KERATIN FIBRES, COMPRISING A 1H-PYRAZOLYL-ETHENYL-INDOLIUM DERIVATIVE L'OREAL (FR) 2005-02-17 WO disclosed