Quinolinic Acid

Quinolinic Acid

SCHEMBL8549189

CCOC(C)OCC.O=C(O)c1cccnc1C(=O)O

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.65
ALDH1A1 P00352 6/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
ALOX15 P16050 2/20 0.65
MAPT P10636 2/20 0.65
CYP3A4 P08684 1/20 0.65
TSHR P16473 1/20 0.65
BLM P54132 1/20 0.65
AGER Q15109 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
GAA P10253 2/20 0.52
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.44
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NAPRT Q6XQN6 2/20 0.42
LMNA P02545 1/20 0.42

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
Quinolinic Acid SCHEMBL14687247 0.82 KDM4E (0.81) KDM4EALDH1A1L3MBTL1ALOX15MAPT
Phthalic Acid SCHEMBL321766 0.81 ALDH1A1 (0.54) KDM4EALDH1A1ALOX15MAPTTSHR
Quinolinic Acid SCHEMBL69230 0.80 KDM4E (1.00) KDM4EALDH1A1L3MBTL1ALOX15MAPT
Quinolinic Acid SCHEMBL29356188 0.80 KDM4E (1.00) KDM4EALDH1A1L3MBTL1ALOX15MAPT
Quinolinic Acid SCHEMBL343618 0.80 KDM4E (1.00) KDM4EALDH1A1L3MBTL1ALOX15MAPT
Quinolinic Acid SCHEMBL27676801 0.80 KDM4E (1.00) KDM4EALDH1A1L3MBTL1ALOX15MAPT
Quinolinic Acid SCHEMBL29236531 0.80 KDM4E (0.71) KDM4EALDH1A1L3MBTL1ALOX15MAPT
Quinolinic Acid SCHEMBL125075 0.79 KDM4E (0.88) KDM4EALDH1A1L3MBTL1ALOX15MAPT
Quinolinic Acid SCHEMBL27862037 0.79 KDM4E (0.88) KDM4EALDH1A1L3MBTL1ALOX15MAPT
Quinolinic Acid SCHEMBL5381551 0.79 KDM4E (0.96) KDM4EALDH1A1L3MBTL1ALOX15MAPT

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-0434965-B1 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID CO (US) 1998-05-20 EP claimed
US-5344935-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1994-09-06 US claimed
EP-0434965-A2 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP claimed