Quinaldic Acid

Quinaldic Acid

SCHEMBL3396282

O=C(O)C(F)(F)F.O=C(O)c1ccc2ccccc2n1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.79
CNR2 P34972 4/20 0.57
HDAC8 Q9BY41 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM4E B2RXH2 3/20 0.49

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
Quinaldic Acid SCHEMBL29350584 0.89 MGAM (1.00) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL39024 0.89 MGAM (1.00) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL1242670 0.89 MGAM (1.00) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL4587213 0.87 MGAM (0.96) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL5228655 0.87 MGAM (0.96) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL5228672 0.87 MGAM (0.96) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL4588314 0.87 MGAM (0.96) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL4802724 0.87 MGAM (0.96) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL13571793 0.87 MGAM (0.96) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL8798794 0.87 MGAM (0.96) MGAMCNR2HDAC8SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1628989-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-12-20 EP disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed