SCHEMBL5700752

SCHEMBL5700752

O=[N+]([O-])c1cc(Oc2ccc(O)cc2[N+](=O)[O-])ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
HSPB1 P04792 1/20 0.48
HPGD P15428 4/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
GPR35 Q9HC97 1/20 0.47
PDE7A Q13946 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
EGFR P00533 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL1581489 0.84 GPR35 (0.60) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL12474508 0.82 KMT2A (0.54) ALDH1A1MAPTKMT2AMEN1HSPB1
SCHEMBL6031674 0.82 MAPK1 (0.67) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL69947 0.82 MAPK1 (0.67) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL29502912 0.82 MAPK1 (0.67) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL10416626 0.81 HPSE (0.59) ALDH1A1MAPTKMT2AMEN1HSPB1
Methoxymethane SCHEMBL10630276 0.79 MAPK1 (0.58) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL10537196 0.77 ALDH1A1 (0.73) ALDH1A1MAPTKMT2AMEN1HSPB1
SCHEMBL10948907 0.77 PDE7A (0.66) ALDH1A1MAPTKMT2AMEN1HSPB1
SCHEMBL1602832 0.76 MAPK1 (0.51) ALDH1A1MAPTKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140827-B1 SYNTHESIS OF PHENOLIC MONOMERS CONTAINING IMIDE OR DIIMIDE MOIETIES AND HIGH HEAT CARBONATE POLYMERS PREPARED THEREFROM GEN ELECTRIC (US) 2006-07-26 EP disclosed
EP-1140827-A1 SYNTHESIS OF PHENOLIC MONOMERS CONTAINING IMIDE OR DIIMIDE MOIETIES AND HIGH HEAT CARBONATE POLYMERS PREPARED THEREFROM GENERAL ELECTRIC COMPANY (US) 2001-10-10 EP disclosed
US-6096853-A Synthesis of phenolic monomers containing imide or diimide moieties and high heat carbonate polymers prepared therefrom GENERAL ELECTRIC COMPANY (US) 2000-08-01 US disclosed
WO-2000037442-A1 SYNTHESIS OF PHENOLIC MONOMERS CONTAINING IMIDE OR DIIMIDE MOIETIES AND HIGH HEAT CARBONATE POLYMERS PREPARED THEREFROM GENERAL ELECTRIC COMPANY (US) 2000-06-29 WO disclosed
US-5965688-A FORMING AN ALIPHATIC CHLOROFORMATE AND THEN REACTING THE BISCHLOROFORMATE WITH AROMATIC DIOL IN AN INTERFACIAL POLYMERIZATION REACTION TO FORM A COPOLYCARBONATE GENERAL ELECTRIC COMPANY (US) 1999-10-12 US disclosed
EP-0922722-A1 Interfacial polycarbonate polymerization process and product GENERAL ELECTRIC COMPANY (US) 1999-06-16 EP disclosed
EP-0021851-B1 ELECTROSTATOGRAPHIC TONER COMPOSITION XEROX CORPORATION (US) 1984-06-13 EP disclosed
US-4296192-A COLORANT; POLYMER OF DIHYDRIC PHENOL, ALKYLENE ETHER GLYCOL AND EPICHLOROHYDRIN XEROX CORPORATION (US) 1981-10-20 US disclosed
EP-0021851-A1 Electrostatographic toner composition XEROX CORPORATION (US) 1981-01-07 EP disclosed
US-3994988-A CONTAINERS, SEPARATORS, MEDICAL EQUIPMENT BAXTER LABORATORIES, INC. (US) 1976-11-30 US disclosed