SCHEMBL2816974

SCHEMBL2816974

O=[N+]([O-])c1cc(-c2ccccc2)ccc1-c1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 4/20 0.56
POLB P06746 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ABCB1 P08183 5/20 0.49
ABCC1 P33527 3/20 0.49
KCNMA1 Q12791 1/20 0.49
HPRT1 P00492 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
APAF1 O14727 1/20 0.46

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
SCHEMBL30352851 0.94 TDP1 (0.66) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL3276362 0.94 TDP1 (0.66) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL15791110 0.91 TDP1 (0.53) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL3273079 0.88 S1PR1 (0.54) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL14366620 0.86 TDP1 (0.56) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL14001771 0.86 TDP1 (0.56) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL28122064 0.86 ALDH1A1 (0.56) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL15860099 0.86 ALDH1A1 (0.51) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL1663325 0.86 CRHBP (0.63) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL22544675 0.84 ALDH1A1 (0.68) CRHBPCRHR2TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487300-B2 Organic electroluminescent devices comprising azomethine-metal complexes MERCK PATENT GMBH (DE) 2013-07-16 US disclosed
US-8487300-B2 Organic electroluminescent devices comprising azomethine-metal complexes MERCK PATENT GMBH (DE) 2013-07-16 US disclosed
US-8487300-B2 Organic electroluminescent devices comprising azomethine-metal complexes MERCK PATENT GMBH (DE) 2013-07-16 US disclosed
US-20100244009-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING AZOMETHINE-METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-09-30 US disclosed
US-20100244009-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING AZOMETHINE-METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-09-30 US disclosed
US-20100244009-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING AZOMETHINE-METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-09-30 US disclosed
EP-2207864-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING AZOMETHINE-METAL COMPLEXES Merck Patent GmbH (DE) 2010-07-21 EP disclosed
WO-2009062578-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING AZOMETHINE-METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-05-22 WO disclosed
WO-2009062578-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING AZOMETHINE-METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-05-22 WO disclosed