SCHEMBL9710864

SCHEMBL9710864

C#CCOc1cc(-n2c(C#N)c(C#N)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.37
PPOX P50336 9/20 0.34
BCAT2 O15382 2/20 0.33
BCAT1 P54687 2/20 0.33
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9710891 0.93 PGK1 (0.36) PGK1PPOXBCAT2BCAT1MAOB
SCHEMBL9710770 0.89 PPOX (0.34) PPOXBCAT2BCAT1
SCHEMBL9710887 0.88 PPOX (0.45) PPOXBCAT2BCAT1
SCHEMBL9710810 0.88 PGK1 (0.36) PGK1PPOXBCAT2BCAT1
SCHEMBL9710631 0.86 PPOX (0.35) PPOXBCAT2BCAT1
SCHEMBL9710905 0.85 PPOX (0.34) PPOXBCAT2BCAT1
SCHEMBL9710813 0.84 PPOX (0.45) PPOXBCAT2BCAT1LMNA
SCHEMBL9711040 0.84 PPOX (0.47) PPOXBCAT2BCAT1
SCHEMBL9710767 0.83 PGK1 (0.36) PGK1PPOXBCAT2BCAT1
SCHEMBL9711103 0.82 CGAS (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed
US-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 US disclosed