SCHEMBL7145067

SCHEMBL7145067

O=C(OC[C@H]1O[C@H](Cl)[C@@H](OCc2ccccc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.65
BCHE P06276 2/20 0.47
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX5 P09917 1/20 0.42
FOLH1 Q04609 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL7154468 0.95 NT5E (0.65) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL7152135 0.88 NT5E (0.64) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL7151020 0.88 NT5E (0.64) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL8998271 0.85 NT5E (0.84) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL8998269 0.85 NT5E (0.84) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL7153265 0.84 ALDH1A1 (0.49) NT5EALDH1A1ALOX5MAPTMEN1
SCHEMBL8998373 0.82 NT5E (0.64) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL7148620 0.82 NT5E (0.46) NT5EBCHEALDH1A1ALOX5FOLH1
SCHEMBL3195423 0.79 NT5E (0.67) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL11418140 0.79 NT5E (0.93) NT5EBCHERAB9ANPC1PTPN1

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
US-6562514-B1 Stabilized vanadium electrolyte solutions for all-vanadium redox cells and batteries PINNACLE VRB LIMITED (AU) 2003-05-13 US disclosed
US-6143443-A ALL-VANADIUM REDOX BATTERY, COMPRISING THE STABILIZED ELECTROLYTE PINNACLE ARB LIMITED (AU) 2000-11-07 US disclosed
EP-0829104-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1998-03-18 EP disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 EP disclosed
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 EP disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 WO disclosed