SCHEMBL6593705

SCHEMBL6593705

COc1ccc(-c2ccc(/C=C/c3cc(C(F)(F)F)[nH]c(=O)n3)o2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 1/20 0.69
MAPT P10636 6/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
LMNA P02545 4/20 0.67
POLB P06746 3/20 0.67
HPGD P15428 2/20 0.67
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 6/20 0.57
USP2 O75604 2/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 2/20 0.54
RECQL P46063 1/20 0.54
TLR9 Q9NR96 1/20 0.54
TNF P01375 3/20 0.48
NOD1 Q9Y239 3/20 0.48
HSPA1A P0DMV8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6593707 1.00 PSD (0.69) PSDMAPTMEN1KMT2ALMNA
SCHEMBL6591484 0.87 PSD (0.73) PSDMAPTMEN1KMT2ALMNA
SCHEMBL6591480 0.87 PSD (0.73) PSDMAPTMEN1KMT2ALMNA
SCHEMBL6596299 0.86 PSD (0.77) PSDMAPTMEN1KMT2ALMNA
SCHEMBL6596295 0.86 PSD (0.77) PSDMAPTMEN1KMT2ALMNA
SCHEMBL6592902 0.85 ALDH1A1 (0.69) PSDMAPTMEN1KMT2ALMNA
SCHEMBL6592904 0.85 ALDH1A1 (0.69) PSDMAPTMEN1KMT2ALMNA
SCHEMBL6592011 0.84 PSD (0.84) PSDMAPTMEN1KMT2ALMNA
SCHEMBL6592007 0.84 PSD (0.84) PSDMAPTMEN1KMT2ALMNA
SCHEMBL6594182 0.83 MEN1 (0.72) PSDMAPTMEN1KMT2ALMNA

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