SCHEMBL4555331

SCHEMBL4555331

Cn1nc(C(F)(F)F)c(C[S+]([O-])c2ccccn2)c1OC(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
POLB P06746 1/20 0.30
GRM5 P41594 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
SCHEMBL4555444 0.87 KDM4E (0.38) KDM4EMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4555421 0.85 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL3746513 0.81 MEN1 (0.32) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1223224 0.79
SCHEMBL1028331 0.79
SCHEMBL1222760 0.79
SCHEMBL3756799 0.76 SMN1; SMN2 (0.35) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL3763121 0.76
SCHEMBL2885014 0.76 ALOX5AP (0.30) ALOX5APFEN1
SCHEMBL2885013 0.76 ALOX5AP (0.30) ALOX5APFEN1

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
EP-2120939-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP claimed
WO-2008100426-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-21 WO claimed
EP-2120939-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008100426-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-21 WO disclosed