L-Kynurenine

L-Kynurenine

SCHEMBL9636977

Nc1ccccc1C(=O)C[C@H](N)C(=O)O.Nc1ccccc1C(=O)C[C@H](NC=O)C(=O)O

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLC1A3 P43003 3/20 0.40
SLC1A2 P43004 3/20 0.40
SLC1A1 P43005 3/20 0.40
KYNU Q16719 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GRIK1 P39086 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
KMO O15229 1/20 0.35
GRIK2 Q13002 1/20 0.35
CFTR P13569 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL146329 0.93 KDM4E (0.42) KDM4EHIF1ATDP1ALDH1A1GAA
Kynurenine SCHEMBL20702077 0.85 KDM4E (0.57) KDM4EHIF1ATDP1SLC1A3SLC1A2
L-Kynurenine SCHEMBL20875 0.85 KDM4E (0.64) KDM4EHIF1ATDP1SLC1A3SLC1A2
L-Kynurenine SCHEMBL13969610 0.85 KDM4E (0.64) KDM4EHIF1ATDP1SLC1A3SLC1A2
L-Kynurenine SCHEMBL29415716 0.85 KDM4E (0.64) KDM4EHIF1ATDP1SLC1A3SLC1A2
Kynurenine SCHEMBL2181581 0.85 KDM4E (0.64) KDM4EHIF1ATDP1SLC1A3SLC1A2
Kynurenine SCHEMBL20874 0.85 KDM4E (0.64) KDM4EHIF1ATDP1SLC1A3SLC1A2
Kynurenine SCHEMBL288988 0.85 KDM4E (0.64) KDM4EHIF1ATDP1SLC1A3SLC1A2
L-Kynurenine SCHEMBL288989 0.85 KDM4E (0.64) KDM4EHIF1ATDP1SLC1A3SLC1A2
Kynurenine SCHEMBL29349989 0.85 KDM4E (0.64) KDM4EHIF1ATDP1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493506-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1992-07-08 EP disclosed
US-5120859-A Anticoagulants GENENTECH, INC. (US) 1992-06-09 US disclosed
WO-1991004247-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1991-04-04 WO disclosed