SCHEMBL4649252

SCHEMBL4649252

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PARP4 Q9UKK3 1/20 0.32
LMNA P02545 1/20 0.32
AR P10275 1/20 0.31
PLAT P00750 1/20 0.31

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
SCHEMBL4647324 0.84 ALDH1A1 (0.51) KDM5AKDM5BCYP2C9CYP2C19ALDH1A1
SCHEMBL4649345 0.81 PARP4 (0.37) KDM4EPARP4
SCHEMBL5810858 0.80 KDM4E (0.42) KDM5AKDM5BALDH1A1KDM4ELMNA
SCHEMBL4801279 0.76 KMT2A (0.39) KDM5AALDH1A1KDM4ELMNA
SCHEMBL4649141 0.75 ALDH1A1 (0.40) KDM5AALDH1A1KDM4E
SCHEMBL6198339 0.72 KDM5A (0.48) KDM5AKDM5BCYP2C9CYP2C19ALDH1A1
SCHEMBL8258156 0.72 PARP4 (0.38) ALDH1A1KDM4EPARP4LMNA
SCHEMBL27397917 0.66 CYP2C9 (0.41) CYP2C9CYP2C19NPSR1ALDH1A1KDM4E
SCHEMBL2384086 0.65 ALDH1A1 (0.49) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL13312806 0.63 KDM5A (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3

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-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