SCHEMBL6595484

SCHEMBL6595484

COc1cc(C=Cc2cc(C(F)(F)F)[nH]c(=O)n2)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.81
ALDH1A1 P00352 2/20 0.81
MAPT P10636 3/20 0.78
MEN1 O00255 2/20 0.78
POLB P06746 2/20 0.78
KMT2A Q03164 2/20 0.78
GAA P10253 1/20 0.78
LMNA P02545 1/20 0.71
APP P05067 10/20 0.59
PTGS2 P35354 3/20 0.52
MMP9 P14780 2/20 0.52
PRKCE Q02156 2/20 0.52
PRKCQ Q04759 2/20 0.52
PRKCD Q05655 2/20 0.52
CAMK2A Q9UQM7 2/20 0.52
ALOX5 P09917 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52
KDR P35968 1/20 0.52
STAT3 P40763 1/20 0.52

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
SCHEMBL6595479 1.00 KDM4E (0.81) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6595936 0.90 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6595939 0.90 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6595926 0.88 MAPT (1.00) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6595922 0.88 MAPT (1.00) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6594343 0.87 MAPT (0.80) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6594347 0.87 MAPT (0.80) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6595735 0.84 KDM4E (0.81) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6595740 0.84 KDM4E (0.81) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6592764 0.84 ALDH1A1 (0.83) KDM4EALDH1A1MAPTMEN1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO claimed
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