SCHEMBL6592158

SCHEMBL6592158

O=c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPKAPK2 P49137 1/20 0.46
TNF P01375 1/20 0.45
RAB9A P51151 1/20 0.45
NOD1 Q9Y239 1/20 0.45
CDC7 O00311 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SCN2A Q99250 2/20 0.42
AHR P35869 1/20 0.41
GRM4 Q14833 1/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL6592160 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MAPKAPK2
SCHEMBL6598621 0.87 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MAPKAPK2
SCHEMBL6598618 0.87 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MAPKAPK2
SCHEMBL6666941 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDMAPKAPK2TNF
SCHEMBL6666936 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDMAPKAPK2TNF
SCHEMBL6595136 0.80 KDM4E (0.65) KDM4EALDH1A1HPGDTNFRAB9A
SCHEMBL6595131 0.80 KDM4E (0.65) KDM4EALDH1A1HPGDTNFRAB9A
SCHEMBL6592328 0.80 TNF (0.71) KDM4EALDH1A1HPGDHSD17B10MAPKAPK2
SCHEMBL6592329 0.80 TNF (0.71) KDM4EALDH1A1HPGDHSD17B10MAPKAPK2
SCHEMBL6595103 0.79 KDM4E (0.51) KDM4EALDH1A1TNFRAB9ANOD1

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