SCHEMBL7148620

SCHEMBL7148620

[N-]=[N+]=NO[C@H]1[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](COC(=O)c2ccccc2)O[C@@H]1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.46
ALDH1A1 P00352 2/20 0.43
ALOX5 P09917 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 3/20 0.39
PTPN1 P18031 3/20 0.38
PTPN2 P17706 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FOLH1 Q04609 1/20 0.38
BCHE P06276 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
GAPDH P04406 1/20 0.36

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
SCHEMBL7145067 0.82 NT5E (0.65) NT5EALDH1A1ALOX5MEN1KMT2A
SCHEMBL7153265 0.81 ALDH1A1 (0.49) NT5EALDH1A1ALOX5MEN1KMT2A
SCHEMBL7213224 0.79 PTPN1 (0.51) ALDH1A1MEN1KMT2APOLBUSP2
SCHEMBL7895654 0.79 PTPN1 (0.51) ALDH1A1MEN1KMT2APOLBUSP2
SCHEMBL10057760 0.79 USP2 (0.55) ALDH1A1MEN1KMT2APOLBUSP2
SCHEMBL10508941 0.79 USP2 (0.55) ALDH1A1MEN1KMT2APOLBUSP2
SCHEMBL506426 0.79 USP2 (0.55) ALDH1A1MEN1KMT2APOLBUSP2
SCHEMBL10510222 0.79 USP2 (0.55) ALDH1A1MEN1KMT2APOLBUSP2
SCHEMBL10508947 0.79 USP2 (0.55) ALDH1A1MEN1KMT2APOLBUSP2
SCHEMBL13019186 0.79 USP2 (0.55) ALDH1A1MEN1KMT2APOLBUSP2

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-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
WO-1996035239-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) 1996-11-07 WO 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