SCHEMBL7152137

SCHEMBL7152137

O=C(c1ccc([N+](=O)[O-])cc1)C(O)[C@H]1O[C@@H](Br)[C@H](OCc2ccccc2)[C@](O)(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]1(O)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
BCHE P06276 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL7151024 1.00 NT5E (0.44) NT5ENPC1RAB9ABCHESMN1; SMN2
SCHEMBL8718401 0.76 CRHBP (0.37) NT5ENPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL10399320 0.70 CES2 (0.36) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL7153269 0.67 ALDH1A1 (0.35) NT5ESMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8691845 0.67 NT5E (0.60) NT5ENPC1RAB9ABCHESMN1; SMN2
SCHEMBL8998373 0.65 NT5E (0.64) NT5ENPC1RAB9ABCHEMAPT
SCHEMBL3708189 0.65 CES2 (0.33) LMNATDP1CES2CES1
SCHEMBL8822163 0.65 CES2 (0.33) NPC1RAB9AMAPTLMNATDP1
SCHEMBL22206336 0.65 CES2 (0.33) LMNATDP1CES2CES1
SCHEMBL7638594 0.65 HIF1A (0.37) NPC1RAB9AMAPTALDH1A1LMNA

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 5 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-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