SCHEMBL6890900

SCHEMBL6890900

O=[N+]([O-])c1ccc(N(c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
CRHBP P24387 1/20 0.68
ATM Q13315 1/20 0.68
CRHR2 Q13324 1/20 0.68
TLR9 Q9NR96 1/20 0.68
MAPT P10636 4/20 0.47
CES1 P23141 1/20 0.47
MAPK1 P28482 3/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45

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
SCHEMBL15000327 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL310828 0.89 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL8986915 0.89 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL18869937 0.88 MEN1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
P-Nitrophenol SCHEMBL1839 0.87 CES1 (0.58) ALDH1A1MEN1KMT2AMAPTCES1
P-Nitrophenol SCHEMBL11048842 0.87 CES1 (0.58) ALDH1A1MEN1KMT2AMAPTCES1
P-Nitrophenol SCHEMBL29806213 0.87 CES1 (0.58) ALDH1A1MEN1KMT2AMAPTCES1
P-Nitrophenol SCHEMBL23273098 0.84 CES1 (0.56) ALDH1A1MEN1KMT2AMAPTCES1
P-Nitrophenol SCHEMBL10883405 0.84 CES1 (0.56) ALDH1A1MEN1KMT2AMAPTCES1
P-Nitrophenol SCHEMBL21493265 0.84 CES1 (0.56) ALDH1A1MEN1KMT2AMAPTCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759147-B2 HIGH INTENSITY, STABILITY; CHARGE TRANSFER COMPOUNDS; CHARGE GENERATING COMPOUNDS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-07-06 US disclosed
US-20020168546-A1 Electroluminescent device KONINKLIJKE PHILIPS ELECTRONICS, N.V. 2002-11-14 US disclosed
US-6432560-B1 ACTIVE MATERIAL IN POLYMER MATRIX KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2002-08-13 US disclosed
EP-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
US-5776375-A CONTAINING NONLINEAR OPTICALLY ACTIVE POLYMER AKZO NOBEL N.V. (NL) 1998-07-07 US disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed
EP-0780722-A1 Electro-optical device stable in the 600-1600 nanometer wavelength range Akzo Nobel N.V. (NL) 1997-06-25 EP disclosed