SCHEMBL6596385

SCHEMBL6596385

C#CCOc1cc(Br)c(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.53
LMNA P02545 3/20 0.53
TNF P01375 3/20 0.47
NOD1 Q9Y239 3/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
POLB P06746 5/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSPA1A P0DMV8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSD A5PKW4 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
RECQL P46063 2/20 0.34

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
SCHEMBL6596389 1.00 KDM4E (0.54) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6692166 0.84 KMT2A (0.39) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL6596143 0.74 KDM4E (0.67) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6596139 0.74 KDM4E (0.67) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6596147 0.74 MAPT (0.60) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6596145 0.74 MAPT (0.60) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6594134 0.73 ALDH1A1 (0.63) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6594138 0.73 ALDH1A1 (0.63) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6595740 0.72 KDM4E (0.81) KDM4EALDH1A1MAPTLMNATNF
SCHEMBL6595735 0.72 KDM4E (0.81) KDM4EALDH1A1MAPTLMNATNF

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