SCHEMBL6593053

SCHEMBL6593053

COc1cc(/C=C/c2cc(C(F)(F)Cl)nc(=O)[nH]2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.50
ALOX5 P09917 4/20 0.50
NFKB1 P19838 3/20 0.50
STAT3 P40763 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX12 P18054 2/20 0.50
PTGS2 P35354 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
MMP9 P14780 1/20 0.50
KDR P35968 1/20 0.50
PRKCE Q02156 1/20 0.50
PRKCQ Q04759 1/20 0.50
PRKCD Q05655 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL6593056 1.00 APP (0.50) APPALOX5NFKB1STAT3NFKB2
SCHEMBL6595484 0.76 KDM4E (0.81) APPALOX5NFKB1STAT3NFKB2
SCHEMBL6595479 0.76 KDM4E (0.81) APPALOX5NFKB1STAT3NFKB2
SCHEMBL6589681 0.75 KDM4E (0.63) MAPTKDM4EKMT2AALDH1A1CYP1A2
SCHEMBL6589679 0.75 KDM4E (0.63) MAPTKDM4EKMT2AALDH1A1CYP1A2
SCHEMBL6661728 0.74 TNF (0.39) APPMAPTKDM4EKMT2AGAA
SCHEMBL6664825 0.74 TNF (0.39) APPMAPTKDM4EKMT2AGAA
SCHEMBL6665807 0.72 KDM4E (0.55) MAPTKDM4EKMT2AGAAMEN1
SCHEMBL6665608 0.72 KDM4E (0.55) MAPTKDM4EKMT2AGAAMEN1
SCHEMBL6668035 0.72 APP (0.66) APPALOX5NFKB1STAT3NFKB2

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