SCHEMBL9682978

SCHEMBL9682978

Cc1cc([N+](=O)[O-])ccc1NCCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.65
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 9/20 0.61
MEN1 O00255 8/20 0.61
CRHBP P24387 3/20 0.61
CRHR2 Q13324 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
THRB P10828 2/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 10/20 0.56
GAA P10253 1/20 0.55
ALPG P10696 1/20 0.54
KAT2B Q92831 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4862815 0.91 KMT2A (0.56) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL14003611 0.91 ALDH1A1 (0.65) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL14003609 0.90 ALDH1A1 (0.60) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL4861171 0.88 ALDH1A1 (0.59) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL4861926 0.88 ALDH1A1 (0.59) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL110398 0.88 KAT2B (0.68) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL28103604 0.87 MAPT (0.64) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL4954687 0.87 MAPT (0.64) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL9795675 0.86 KMT2A (0.53) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL3858396 0.86 MAPT (0.55) KMT2ATSHRTDP1MAPTMEN1

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
CN-1903161-A Composition for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2007-01-31 CN claimed
CN-1899244-A Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2007-01-24 CN claimed
CN-1903161-A Composition for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2007-01-31 CN disclosed
CN-1899244-A Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2007-01-24 CN disclosed
CN-1816317-A Composition comprising at least one substituted 2-[2-(4-amino phenyl)ethenyl]-1-pyridinium derivative, process for treating keratin fibres using it, device and use thereof OREAL (FR) 2006-08-09 CN disclosed
US-5112531-A Acrylic ester and acrylic amide polymers containing nitrophenyl groups in the side chain THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-05-12 US disclosed
US-5079321-A Acrylates and acrylamides containing a nitrophenyl group THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-01-07 US disclosed
US-3970423-A PHENYLENEDIAMINE DERIVATIVES CLAIROL INCORPORATED (US) 1976-07-20 US disclosed