SCHEMBL289513

SCHEMBL289513

Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)O.Nc1ccccc1C(=O)C[C@H](NO)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
HIF1A Q16665 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
G6PD P11413 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
KYNU Q16719 2/20 0.34
KMO O15229 2/20 0.34
HDAC1 Q13547 1/20 0.34
IKBKB O14920 1/20 0.33
CASR P41180 1/20 0.33
GRIK1 P39086 1/20 0.33

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
Kynurenine SCHEMBL6932225 0.86 KDM4E (0.77) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL134058 0.84 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL29352838 0.84 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL17641540 0.84 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL288333 0.84 MAPT (0.43) KDM4EHIF1ATDP1HDAC1
SCHEMBL29934345 0.84 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL30973707 0.84 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL29375641 0.84 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL180582 0.84 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL16616577 0.84 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 EP disclosed
EP-2427773-A1 METHOD OF DIAGNOSING ASPHYXIA Keller, Matthias (DE) 2012-03-14 EP disclosed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 WO disclosed
WO-2010128054-A1 METHOD OF DIAGNOSING ASPHYXIA BIOCRATES LIFE SCIENCES AG (AT) 2010-11-11 WO disclosed