SCHEMBL9102939

SCHEMBL9102939

Nc1cc(CCO)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 7/20 0.42
CYP3A4 P08684 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
POLB P06746 3/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 3/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
MCL1 Q07820 1/20 0.38
SNCA P37840 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CTSB P07858 1/20 0.36
GPR35 Q9HC97 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
SCHEMBL10577811 0.85 HTT (0.56) ALOX15MAPK1HSD17B10ALDH1A1CYP3A4
SCHEMBL28060643 0.83 ALDH1A1 (0.39) MAPK1ALDH1A1CYP3A4POLBHTT
SCHEMBL8447360 0.81 ALOX15 (0.58) ALOX15L3MBTL1MAPK1HSD17B10ALDH1A1
Methane SCHEMBL27666967 0.79 ALOX15 (0.56) ALOX15L3MBTL1MAPK1HSD17B10ALDH1A1
SCHEMBL9815417 0.79 TSHR (0.55) ALOX15L3MBTL1MAPK1HSD17B10ALDH1A1
Hydrogen Sulfide SCHEMBL28060660 0.79 ALOX15 (0.56) ALOX15L3MBTL1MAPK1HSD17B10ALDH1A1
SCHEMBL4461706 0.77 POLB (0.42) ALOX15L3MBTL1MAPK1HSD17B10ALDH1A1
SCHEMBL10585495 0.77 ALOX15 (0.41) ALOX15L3MBTL1MAPK1HSD17B10ALDH1A1
SCHEMBL5080205 0.77 ALDH1A1 (0.58) ALOX15L3MBTL1MAPK1HSD17B10ALDH1A1
SCHEMBL994423 0.76 ALDH1A1 (0.49) L3MBTL1ALDH1A1TDP1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4727192-A OXIDATION COLOR DYES L'OREAL (FR) 1988-02-23 US claimed
CN-106398722-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2018-11-02 CN disclosed
US-9976088-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element having the same CHI MEI CORPORATION (TW) 2018-05-22 US disclosed
CN-106398722-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2017-02-15 CN disclosed
US-20170029703-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THE SAME CHI MEI CORPORATION (TW) 2017-02-02 US disclosed
US-20120141398-A1 HAIR DYE CONTAINING ONE OR MORE EDIBLE OR COSMETIC COLORS CHUANG KUO SHENG (TW) 2012-06-07 US disclosed
CN-102485201-A Hair dye containing one or more edible pigment or cosmetic pigment and hair dyeing method thereof GUOSHENG ZHUANG 2012-06-06 CN disclosed
CN-102397170-A Plant hair dye and method for dyeing hair by using same GUOSHENG ZHUANG 2012-04-04 CN disclosed
US-4888445-A New 2,4-dinitro- or 2-amino-4-nitro- or 2-nitro-4-amino-6-hydroxyalkylanilines, the process for preparation thereof and their use in dyeing keratinous fibres, and especially human hair L'OREAL (FR) 1989-12-19 US disclosed
US-4880784-A ANTITUMOR AGENTS BRIGHAM YOUNG UNIVERSITY (US) 1989-11-14 US disclosed
US-4727192-A OXIDATION COLOR DYES L'OREAL (FR) 1988-02-23 US disclosed