SCHEMBL9113733

SCHEMBL9113733

CC(O)Cc1cc(N)cc([N+](=O)[O-])c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALOX15 P16050 3/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 1/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 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
SCHEMBL10581369 0.86 HTT (0.51) MAPTALOX15ALOX12ALDH1A1CYP3A4
SCHEMBL10583134 0.79 MAPT (0.41) MAPTALOX15ALOX12ALDH1A1CYP3A4
SCHEMBL10583125 0.79 MAPT (0.41) MAPTALOX15ALOX12ALDH1A1CYP3A4
SCHEMBL10581813 0.78 MAPT (0.43) MAPTALOX15ALOX12ALDH1A1CYP3A4
SCHEMBL9820264 0.78 TDP1 (0.42) MAPTALOX15ALOX12ALDH1A1TSHR
SCHEMBL10585495 0.76 ALOX15 (0.41) MAPTALOX15ALDH1A1CYP3A4TSHR
SCHEMBL9102939 0.76 ALOX15 (0.43) MAPTALOX15ALDH1A1CYP3A4TSHR
SCHEMBL10579615 0.75 HTT (0.53) MAPTALOX15ALOX12ALDH1A1CYP3A4
SCHEMBL10580428 0.74 CMA1 (0.36) MAPTALOX15ALOX12L3MBTL1POLB
SCHEMBL10621299 0.74 MAPT (0.34) MAPTALOX15ALOX12ALDH1A1LMNA

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 8 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
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-4727192-A OXIDATION COLOR DYES L'OREAL (FR) 1988-02-23 US disclosed