SCHEMBL4553269

SCHEMBL4553269

O=C(NCC(F)F)c1cn[nH]c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.46
NAMPT P43490 1/20 0.39
ROCK2 O75116 8/20 0.39
ROCK1 Q13464 7/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
MME P08473 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL26763905 0.83 GAA (0.53) ACACBNAMPTROCK2ROCK1HTT
SCHEMBL34468891 0.81 ACACB (0.51) ACACBNAMPTROCK2ROCK1GSK3B
SCHEMBL18281350 0.80 ALDH1A1 (0.41) ACACBNAMPTROCK2ROCK1ALDH1A1
SCHEMBL18281318 0.78 THRB (0.49) ACACBNAMPTROCK2ROCK1ALDH1A1
SCHEMBL566140 0.77 ACACB (0.43) ACACBROCK2ROCK1ALDH1A1HTT
SCHEMBL1608977 0.77 ROCK2 (0.47) ACACBNAMPTROCK2ROCK1
SCHEMBL17065962 0.76 MARK3 (0.42) ACACBNAMPTROCK2ALDH1A1HTT
SCHEMBL13373398 0.75 MMP13 (0.45) ACACBROCK2ROCK1ALDH1A1HTT
SCHEMBL6639419 0.74 NAMPT (0.46) ACACBNAMPTROCK2ROCK1ALDH1A1
SCHEMBL1474376 0.74 ACACB (0.39) ACACBNAMPTROCK2ROCK1ALDH1A1

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
EP-2040547-A1 PESTICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND AN INSECTICIDE COMPOUND Bayer CropScience AG (DE) 2009-04-01 EP disclosed
WO-2008003738-A1 PESTICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND AN INSECTICIDE COMPOUND BAYER CROPSCIENCE AG (DE) 2008-01-10 WO disclosed