SCHEMBL12502467

SCHEMBL12502467

CC1(C)OB(c2ccc3ncn(C(=O)O)c3c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
LIPG Q9Y5X9 4/20 0.38
LPL P06858 3/20 0.38
P4HB P07237 1/20 0.37
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ROCK1 Q13464 1/20 0.36
DGAT1 O75907 1/20 0.36
HIF1A Q16665 3/20 0.35
EGFR P00533 2/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL482096 0.90 LIPG (0.38) IDO1TDO2IRAK4LIPGLPL
SCHEMBL15261921 0.83 USP30 (0.43) IDO1TDO2IRAK4F2F11
SCHEMBL13028373 0.79 DYRK1A (0.42) IDO1TDO2IRAK4LIPGLPL
SCHEMBL2144110 0.77 MTNR1A (0.49) IDO1TDO2IRAK4LIPGROCK1
SCHEMBL14765095 0.76 HTT (0.52) LIPGLPL
SCHEMBL3044285 0.76 LPL (0.41) IDO1TDO2IRAK4LIPGLPL
SCHEMBL18130872 0.76 IRAK4 (0.39) IDO1TDO2IRAK4LIPGLPL
SCHEMBL15288424 0.76 LPL (0.41) IDO1TDO2IRAK4LIPGLPL
SCHEMBL19836335 0.76 IRAK4 (0.39) IDO1TDO2IRAK4LIPGLPL
SCHEMBL23638475 0.75 MTNR1A (0.39) IDO1TDO2IRAK4LIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670410-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Evolva SA (CH) 2013-12-11 EP disclosed
WO-2012104305-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2012-08-09 WO disclosed