SCHEMBL13729263

SCHEMBL13729263

CCCCCCCCNC(=O)c1nc(C)nc(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAAA Q02083 4/20 0.46
EGLN1 Q9GZT9 1/20 0.46
EPHX1 P07099 6/20 0.43
HPGD P15428 2/20 0.43
MLYCD O95822 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 1/20 0.41
CASP2 P42575 1/20 0.40

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
SCHEMBL13729514 1.00 L3MBTL1 (0.47) L3MBTL1ALDH1A1LMNASMN1; SMN2NAAA
SCHEMBL13727503 0.85 NAAA (0.46) L3MBTL1ALDH1A1LMNASMN1; SMN2NAAA
SCHEMBL13727448 0.84 NAAA (0.44) L3MBTL1ALDH1A1LMNASMN1; SMN2NAAA
SCHEMBL13727381 0.79 HTT (0.43) L3MBTL1ALDH1A1LMNASMN1; SMN2NAAA
SCHEMBL30545066 0.72 EPHX1 (0.57) L3MBTL1ALDH1A1LMNASMN1; SMN2NAAA
SCHEMBL13727136 0.72 ERCC1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2EGLN1HPGD
SCHEMBL31347372 0.71 EGLN1 (0.61) ALDH1A1LMNASMN1; SMN2EGLN1HPGD
SCHEMBL13729337 0.71 NAAA (0.49) ALDH1A1SMN1; SMN2NAAAHPGDKDM4E
SCHEMBL17580836 0.70 NAAA (0.54) L3MBTL1ALDH1A1LMNASMN1; SMN2NAAA
SCHEMBL21496535 0.70 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNASMN1; SMN2NAAA

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