SCHEMBL6182382

SCHEMBL6182382

CCOC(=O)C=Cc1nc(C)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
CYP3A4 P08684 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
P2RY12 Q9H244 1/20 0.40
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
CDK19 Q9BWU1 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FDPS P14324 1/20 0.38

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
SCHEMBL6185161 0.76 CA12 (0.44) KDM4EMAPTCA12CA1CA2
SCHEMBL6726458 0.75 CA12 (0.46) KDM4EMAPTCA12CA1CA2
SCHEMBL7116220 0.75 MAPT (0.47) KDM4EMAPTCA12CA1CA2
SCHEMBL6181182 0.75 CA12 (0.46) KDM4EMAPTCA12CA1CA2
SCHEMBL7116216 0.75 MAPT (0.47) KDM4EMAPTCA12CA1CA2
SCHEMBL11598556 0.72 MEN1 (0.69) KDM4EMAPTCA12CA1CA2
SCHEMBL11598554 0.72 MEN1 (0.69) KDM4EMAPTCA12CA1CA2
SCHEMBL2567149 0.72 MEN1 (0.69) KDM4EMAPTCA12CA1CA2
SCHEMBL2634591 0.71 MEN1 (0.35) KDM4EMAPTP2RY12MEN1KMT2A
SCHEMBL13103009 0.70 TTR (0.48) KDM4EMAPTCA12CA1CA2

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-1492787-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003087088-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-10-23 WO disclosed