SCHEMBL6597464

SCHEMBL6597464

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
MAPT P10636 4/20 0.72
ALDH1A1 P00352 3/20 0.72
LMNA P02545 3/20 0.72
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GAA P10253 3/20 0.58
POLB P06746 3/20 0.58
PSMD14 O00487 1/20 0.50
TNF P01375 3/20 0.46
NOD1 Q9Y239 3/20 0.46
RAB9A P51151 1/20 0.46
APP P05067 1/20 0.43
LCK P06239 2/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
HPGD P15428 2/20 0.41
HSPA1A P0DMV8 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6597469 1.00 KDM4E (0.72) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6594343 0.92 MAPT (0.80) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6594347 0.92 MAPT (0.80) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6595735 0.84 KDM4E (0.81) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6595740 0.84 KDM4E (0.81) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6595258 0.84 KDM4E (1.00) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6595261 0.84 KDM4E (1.00) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6596145 0.83 MAPT (0.60) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6596147 0.83 MAPT (0.60) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6595484 0.82 KDM4E (0.81) KDM4EMAPTALDH1A1LMNAMEN1

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
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
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed