SCHEMBL6596145

SCHEMBL6596145

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 4/20 0.60
TNF P01375 3/20 0.52
NOD1 Q9Y239 3/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
POLB P06746 3/20 0.51
GAA P10253 1/20 0.51
ERN1 O75460 4/20 0.47
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
HSPA1A P0DMV8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
IGF1R P08069 1/20 0.42
PSD A5PKW4 1/20 0.41
USP2 O75604 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
SCHEMBL6596147 1.00 MAPT (0.60) MAPTKDM4EALDH1A1LMNATNF
SCHEMBL6596139 0.85 KDM4E (0.67) MAPTKDM4EALDH1A1LMNATNF
SCHEMBL6596143 0.85 KDM4E (0.67) MAPTKDM4EALDH1A1LMNATNF
SCHEMBL6594013 0.85 TNF (0.57) MAPTKDM4EALDH1A1LMNATNF
SCHEMBL6594011 0.85 TNF (0.57) MAPTKDM4EALDH1A1LMNATNF
SCHEMBL6589718 0.84 MEN1 (0.53) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL6594347 0.84 MAPT (0.80) MAPTKDM4EALDH1A1LMNATNF
SCHEMBL6594343 0.84 MAPT (0.80) MAPTKDM4EALDH1A1LMNATNF
SCHEMBL6592751 0.84 MEN1 (0.53) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL6589713 0.84 MEN1 (0.53) MAPTKDM4EALDH1A1LMNARAB9A

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