SCHEMBL13727136

SCHEMBL13727136

CCCNC(=O)c1nc(CC)nc(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
POLB P06746 2/20 0.41
TP53 P04637 2/20 0.38
EGLN1 Q9GZT9 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL13727381 0.90 HTT (0.43) POLBTP53NPC1RAB9ASMN1; SMN2
SCHEMBL13727503 0.88 NAAA (0.46) SMN1; SMN2HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL13728407 0.75 HPGD (0.50) ERCC1FEN1ERCC4TP53EGLN1
SCHEMBL15458806 0.74 EGLN1 (0.65) ERCC1FEN1ERCC4TP53EGLN1
SCHEMBL13824143 0.74 POLB (0.46) ERCC1FEN1ERCC4POLBTP53
SCHEMBL15680149 0.73 POLB (0.44) ERCC1FEN1ERCC4POLBTP53
SCHEMBL5461694 0.72 EGLN1 (0.51) POLBEGLN1SMN1; SMN2CYP1A2
SCHEMBL13729263 0.72 L3MBTL1 (0.47) EGLN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL13729514 0.72 L3MBTL1 (0.47) EGLN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL13823951 0.70 GABRG2 (0.51) ERCC1FEN1ERCC4POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed