SCHEMBL8186256

SCHEMBL8186256

C#CC(C)Oc1cc(-c2ncc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
NR1I2 O75469 1/20 0.30
PPOX P50336 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8186058 0.92 PPOX (0.31) PPOX
SCHEMBL8192987 0.83 PGK1 (0.36) KMT2A
SCHEMBL8192289 0.82 HSP90AA1 (0.36) MEN1KMT2A
SCHEMBL8189377 0.82 MAPK1 (0.36) MEN1PPOXKMT2A
SCHEMBL8187343 0.76 PGK1 (0.35)
SCHEMBL8178803 0.76 COMT (0.34) MEN1KMT2A
SCHEMBL8187079 0.76 COMT (0.41) MEN1KMT2A
SCHEMBL8201364 0.75 PPOX (0.36) MEN1PPOXKMT2A
SCHEMBL8192247 0.74 PPOX (0.36) PPOX
SCHEMBL8553353 0.74 MAPT (0.38) TDP1

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
US-6015774-A Pyrazin-2-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-18 US disclosed
EP-0859765-A1 PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-26 EP disclosed
WO-1997011060-A1 PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-03-27 WO disclosed