SCHEMBL6595136

SCHEMBL6595136

O=c1nc(C=Cc2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)[nH]1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 6/20 0.65
TNF P01375 3/20 0.60
NOD1 Q9Y239 3/20 0.60
RAB9A P51151 1/20 0.60
MAPT P10636 5/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
POLB P06746 4/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
HSPA1A P0DMV8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PSD A5PKW4 1/20 0.51
ESR1 P03372 1/20 0.49
RECQL P46063 2/20 0.49
USP2 O75604 2/20 0.47

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
SCHEMBL6595131 1.00 KDM4E (0.65) KDM4EALDH1A1TNFNOD1RAB9A
SCHEMBL6595701 0.91 KDM4E (0.65) KDM4EALDH1A1TNFNOD1RAB9A
SCHEMBL6595699 0.91 KDM4E (0.65) KDM4EALDH1A1TNFNOD1RAB9A
SCHEMBL6593505 0.91 KDM4E (0.55) KDM4EALDH1A1TNFNOD1RAB9A
SCHEMBL6593509 0.91 KDM4E (0.55) KDM4EALDH1A1TNFNOD1RAB9A
SCHEMBL6593291 0.87 KDM4E (0.64) KDM4EALDH1A1TNFNOD1RAB9A
SCHEMBL6593293 0.87 KDM4E (0.64) KDM4EALDH1A1TNFNOD1RAB9A
SCHEMBL6591299 0.87 TNF (0.70) KDM4EALDH1A1TNFNOD1RAB9A
SCHEMBL6595099 0.87 KDM4E (0.64) KDM4EALDH1A1TNFNOD1RAB9A
SCHEMBL6591295 0.87 TNF (0.70) KDM4EALDH1A1TNFNOD1RAB9A

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