SCHEMBL6598618

SCHEMBL6598618

O=c1nc(/C=C/c2ccccc2)cc(-c2ccccc2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
HPGD P15428 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 1/20 0.57
CDC7 O00311 5/20 0.50
MAPK1 P28482 3/20 0.49
MAPKAPK2 P49137 9/20 0.47
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
PIM1 P11309 3/20 0.44
GSK3B P49841 3/20 0.44
CSNK2A1 P68400 3/20 0.44
CSNK2A2 P19784 1/20 0.44
CLK1 P49759 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK13 O15264 2/20 0.43

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
SCHEMBL6598621 1.00 KDM4E (0.57) KDM4EHPGDALDH1A1HSD17B10CDC7
SCHEMBL6592160 0.87 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10CDC7
SCHEMBL6592158 0.87 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10CDC7
SCHEMBL6594041 0.81 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10CDC7
SCHEMBL6594036 0.81 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10CDC7
SCHEMBL6597902 0.79 CDC7 (0.48) KDM4EHPGDALDH1A1HSD17B10CDC7
SCHEMBL6597904 0.79 CDC7 (0.48) KDM4EHPGDALDH1A1HSD17B10CDC7
SCHEMBL6592328 0.78 TNF (0.71) KDM4EHPGDALDH1A1HSD17B10CDC7
SCHEMBL6592329 0.78 TNF (0.71) KDM4EHPGDALDH1A1HSD17B10CDC7
SCHEMBL6591213 0.76 CDC7 (0.46) KDM4EHPGDALDH1A1HSD17B10CDC7

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-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP claimed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed