SCHEMBL6597345

SCHEMBL6597345

CCN(CC)c1ccc(C=Cc2cc(C(F)(F)F)[nH]c(=O)n2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.56
MAPT P10636 10/20 0.56
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
GAA P10253 6/20 0.56
POLB P06746 5/20 0.56
TNF P01375 3/20 0.56
NOD1 Q9Y239 3/20 0.56
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 10/20 0.48
LMNA P02545 7/20 0.48
HTT P42858 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
HPGD P15428 5/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSPA1A P0DMV8 1/20 0.48
TDP1 Q9NUW8 3/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
PSD A5PKW4 1/20 0.43

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
SCHEMBL6597341 1.00 KDM4E (0.56) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6592496 0.85 ALDH1A1 (0.60) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6592492 0.85 ALDH1A1 (0.60) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6593619 0.81 KDM4E (0.57) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6596372 0.81 KDM4E (0.57) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6594246 0.80 TNF (0.74) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6594250 0.80 TNF (0.74) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6593850 0.74 TNF (0.59) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6594496 0.74 TNF (0.74) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6594492 0.74 TNF (0.74) KDM4EMAPTMEN1KMT2AGAA

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