SCHEMBL6595103

SCHEMBL6595103

Cc1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
AHR P35869 1/20 0.45
TP53 P04637 1/20 0.45
NQO2 P16083 1/20 0.44
TNF P01375 2/20 0.43
NOD1 Q9Y239 2/20 0.43
RAB9A P51151 1/20 0.43
PTGS1 P23219 1/20 0.42
CYP1A2 P05177 1/20 0.40
NFE2L2 Q16236 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL6595104 1.00 KDM4E (0.51) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6595136 0.84 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6595131 0.84 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6593509 0.81 KDM4E (0.55) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6593505 0.81 KDM4E (0.55) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6592158 0.79 KDM4E (0.47) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6592160 0.79 KDM4E (0.47) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6663678 0.79 MAPT (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6595699 0.78 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6595701 0.78 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAMEN1

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