SCHEMBL3272499

SCHEMBL3272499

O=[N+]([O-])c1ccc(Nc2ccc(Nc3ccccc3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.73
▸ MEN1 O00255 7/20 0.73
▸ KMT2A Q03164 7/20 0.73
▸ MAPK1 P28482 4/20 0.73
▸ L3MBTL1 Q9Y468 4/20 0.68
▸ TDP1 Q9NUW8 4/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ GFER P55789 2/20 0.67
▸ HPGD P15428 1/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ POLB P06746 2/20 0.64
▸ CASP7 P55210 1/20 0.63
▸ HCAR3 P49019 1/20 0.62
▸ CTSV O60911 1/20 0.62
▸ CTSL P07711 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ WNK1 Q9H4A3 1/20 0.57
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.55

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
SCHEMBL293916 0.97 MAPT (0.72) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL13304846 0.91 MEN1 (0.69) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL31098648 0.90 MEN1 (0.82) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL11795325 0.86 MEN1 (0.75) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL141079 0.85 MAPT (0.57) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL108329 0.85 NT5E (0.61) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL29357322 0.85 MAPT (0.57) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL16147671 0.85 NT5E (0.61) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL2328147 0.84 MEN1 (0.73) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL8353349 0.84 MEN1 (1.00) MAPTMEN1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1738800-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2010-06-09 — — EP disclosed
EP-1738800-A1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer L'Oréal (FR) 2007-01-03 — — EP disclosed
Send feedback