SCHEMBL4649345

SCHEMBL4649345

Cc1cc(I)cc2c(O)c(C(=O)O)c(=O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP4 Q9UKK3 1/20 0.37
LDHA P00338 3/20 0.37
LDHB P07195 3/20 0.37
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
DAO P14920 1/20 0.35
DDO Q99489 1/20 0.35
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8258156 0.87 PARP4 (0.38) PARP4LDHALDHBKDM4EHSD17B10
SCHEMBL4647324 0.82 ALDH1A1 (0.51) CYP3A4MAPTKDM4EGAAHPGD
SCHEMBL4649252 0.81 GABRG2 (0.38) PARP4KDM4E
SCHEMBL4801279 0.78 KMT2A (0.39) KDM4EHSD17B10GAATDP1
SCHEMBL5809605 0.76 RPA1 (0.49) MAPTKDM4EHSD17B10GAAHPGD
SCHEMBL10648403 0.70 ABCB1 (0.46) MAPTKDM4EHSD17B10GAAGRIN2D
SCHEMBL23600938 0.69 CYP3A4 (0.50) LDHALDHBCYP3A4MAPTKDM4E
SCHEMBL31447231 0.68 KMT2A (0.33) LDHALDHBCYP3A4MAPTKDM4E
SCHEMBL5820311 0.68 LDHA (0.35) LDHALDHBCYP3A4MAPTKDM4E
SCHEMBL11379798 0.67 KDM4E (0.60) LDHALDHBMAPTKDM4EHSD17B10

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-1960363-A2 QUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF Amgen, Inc. (US) 2008-08-27 EP disclosed
WO-2007070359-A2 QUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2007-06-21 WO disclosed
WO-2006089689-A1 2-QUINOLONE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASES GLAXO GROUP LIMITED (GB) 2006-08-31 WO disclosed
WO-2006089689-A1 2-QUINOLONE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASES GLAXO GROUP LIMITED (GB) 2006-08-31 WO disclosed