SCHEMBL3396956

SCHEMBL3396956

C=CCOc1ccc(-c2c(C)[nH]c(C)cc2=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PIK3CA P42336 1/20 0.32
MAPT P10636 1/20 0.32
PARP1 P09874 1/20 0.31
MAOB P27338 2/20 0.31
MAT2A P31153 1/20 0.31
MAOA P21397 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DGAT1 O75907 2/20 0.30

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
SCHEMBL9134640 0.82 MAT2A (0.41) SLC2A1PIK3CAMAPTMAT2A
SCHEMBL13754676 0.80 SLC2A1 (0.52) SLC2A1POLB
SCHEMBL3397533 0.80 SLC2A1 (0.42) SLC2A1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3397558 0.78 PTGS1 (0.40) ALDH1A1KDM4EMEN1KMT2APIK3CA
SCHEMBL4488899 0.74 SLC2A1 (0.48) SLC2A1
SCHEMBL13754678 0.70 HPGDS (0.48) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL3395824 0.69 KDM1A (0.40)
SCHEMBL3397585 0.68 SLC2A1 (0.43) SLC2A1DGAT1
SCHEMBL9455121 0.67 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4478658 0.67 MAT2A (0.40) MAT2ADGAT1

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-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed