SCHEMBL6594343

SCHEMBL6594343

COc1cc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)cc(OC)c1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.80
KDM4E B2RXH2 4/20 0.80
ALDH1A1 P00352 4/20 0.80
LMNA P02545 3/20 0.80
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
GAA P10253 3/20 0.63
POLB P06746 3/20 0.63
TNF P01375 3/20 0.50
NOD1 Q9Y239 3/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ESR1 P03372 1/20 0.45
PIM1 P11309 2/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
HSPA1A P0DMV8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6594347 1.00 MAPT (0.80) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6597464 0.92 KDM4E (0.72) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6597469 0.92 KDM4E (0.72) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6595258 0.89 KDM4E (1.00) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6595261 0.89 KDM4E (1.00) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6595484 0.87 KDM4E (0.81) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6595479 0.87 KDM4E (0.81) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6595939 0.85 ALDH1A1 (1.00) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6595936 0.85 ALDH1A1 (1.00) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6597180 0.84 KDM4E (0.85) MAPTKDM4EALDH1A1LMNAMEN1

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 3 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
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO disclosed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed