SCHEMBL708511

SCHEMBL708511

O=[N+]([O-])c1ccc(OOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
GPR35 Q9HC97 2/20 0.62
MAPK1 P28482 2/20 0.62
HPGD P15428 2/20 0.62
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 5/20 0.60
HSPB1 P04792 3/20 0.60
TDP1 Q9NUW8 2/20 0.59
HIF1A Q16665 1/20 0.57
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
TTR P02766 3/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 1/20 0.53
GAA P10253 2/20 0.50

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
SCHEMBL17309049 0.89 ALDH1A1 (0.55) ALDH1A1GPR35MAPK1HPGDTP53
SCHEMBL1042708 0.88 HSPB1 (0.73) ALDH1A1GPR35MAPK1HPGDTP53
SCHEMBL29390372 0.88 HSPB1 (0.73) ALDH1A1GPR35MAPK1HPGDTP53
SCHEMBL28221135 0.86 ALDH1A1 (0.51) ALDH1A1GPR35MAPK1HPGDTP53
SCHEMBL10548431 0.84 ALDH1A1 (0.57) ALDH1A1GPR35MAPK1HPGDTP53
SCHEMBL20328418 0.84 TDP1 (0.66) ALDH1A1GPR35MAPK1HPGDTP53
SCHEMBL20328412 0.84 TDP1 (0.66) ALDH1A1GPR35MAPK1HPGDTP53
SCHEMBL123957 0.84 ALDH1A1 (0.61) ALDH1A1GPR35MAPK1HPGDTP53
SCHEMBL10528527 0.84 ALDH1A1 (0.57) ALDH1A1GPR35MAPK1HPGDTP53
SCHEMBL397931 0.84 TDP1 (0.66) ALDH1A1GPR35MAPK1HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017155940-A1 DNP AND DNP PRODRUG TREATMENT OF NEUROMUSCULAR, NEURODEGENERATIVE, AUTOIMMUNE, DEVELOPMENTAL, CONCUSSION, DRY EYE DISEASE, AND/OR METABOLIC DISEASES Mitochon Pharmaceuticals, LLC (US) 2017-09-14 WO disclosed
US-8124443-B2 Organic diodes and materials MARROCCO MATTHEW L (US) 2012-02-28 US disclosed
US-20100112751-A1 ORGANIC DIODES AND MATERIALS MARROCCO III MATTHEW L 2010-05-06 US disclosed
US-7655961-B2 Organic diodes and materials MAXDEM INCORPORATED (US) 2010-02-02 US disclosed
WO-2005034199-A2 ORGANIC DIODES AND MATERIALS MAXDEM INCORPORATED (US) 2005-04-14 WO disclosed
US-20050072971-A1 Organic diodes and materials IPCO LLC 2005-04-07 US disclosed