SCHEMBL5604544

SCHEMBL5604544

CC(O)Cn1c(=O)cc(N)n(N)c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.36
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9849016 0.72 ALDH1A1 (0.74) ALDH1A1MAPK1MAPTKDM4EHPGD
SCHEMBL1545990 0.69 ALDH1A1 (0.75) ALDH1A1MAPK1MAPTKDM4EHPGD
SCHEMBL260676 0.69 KDM4E (0.43) ALDH1A1MAPK1MAPTKDM4EADORA2A
SCHEMBL1546099 0.68 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHPGDADORA2A
SCHEMBL11606618 0.66 ALDH1A1 (0.55) ALDH1A1MAPK1HPGDADORA1CYP3A4
SCHEMBL21185866 0.65 KDM4E (0.49) ALDH1A1MAPK1MAPTKDM4EADORA2A
SCHEMBL3193706 0.65 POLB (0.43) ALDH1A1MAPTKDM4EHPGDADORA2A
SCHEMBL6804165 0.64 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTKDM4EHPGD
SCHEMBL10711246 0.64 KDM4E (0.40) ALDH1A1MAPK1MAPTKDM4EADORA2A
SCHEMBL11690456 0.62 KDM4E (0.39) ALDH1A1MAPK1MAPTKDM4EATM

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
EP-1044968-B1 6-Amino-2-oxo-pyrimidin-4-one derivatives, their preparation and their use as stabilisers for halogen-containing polymers CHEMTURA VINYL ADDITIVES GMBH (DE) 2007-04-18 EP disclosed