SCHEMBL5309154

SCHEMBL5309154

O=C(O)CNC(=O)c1cnc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.62
BCAT1 P54687 1/20 0.56
KDM4C Q9H3R0 1/20 0.55
PREP P48147 1/20 0.55
KDR P35968 1/20 0.54
CFTR P13569 1/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 1/20 0.53
HPGDS O60760 3/20 0.51
PPARD Q03181 1/20 0.50
NAMPT P43490 1/20 0.48
RAB9A P51151 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL13113540 0.87 MGAM (0.56) MGAMBCAT1PREPKDRCFTR
SCHEMBL24392693 0.84 HPGDS (0.70) MGAMBCAT1CFTRHDAC3HDAC1
SCHEMBL7209315 0.84 MGAM (0.59) MGAMBCAT1PREPKDRCFTR
SCHEMBL13101453 0.83 MGAM (0.52) MGAMBCAT1PREPKDRCFTR
SCHEMBL6237473 0.81 MGAM (0.65) MGAMBCAT1KDRCFTRHDAC3
SCHEMBL2639342 0.81 PPARD (0.57) MGAMBCAT1PREPKDRCFTR
SCHEMBL17634217 0.81 PLK1 (0.65) BCAT1HDAC1HDAC2RAB9AHTR1A
SCHEMBL29222038 0.81 HDAC3 (0.61) MGAMBCAT1PREPKDRCFTR
SCHEMBL2639346 0.81 MGAM (0.56) MGAMBCAT1PREPKDRCFTR
SCHEMBL30858823 0.81 HDAC3 (0.61) MGAMBCAT1PREPKDRCFTR

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-2935221-B1 QUINOLONE DERIVATIVES CADILA HEALTHCARE LTD (IN) 2018-02-07 EP disclosed
WO-2007038571-A3 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-10-11 WO disclosed
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed