SCHEMBL6984955

SCHEMBL6984955

Cc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(F)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 8/20 0.36
BCAT1 P54687 8/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD1 P21728 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
PDE9A O76083 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 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
SCHEMBL8906963 0.91 L3MBTL1 (0.36) BCAT2BCAT1GAAL3MBTL1KMT2A
SCHEMBL8381949 0.87 L3MBTL1 (0.34) BCAT2BCAT1GAAL3MBTL1KMT2A
SCHEMBL7010249 0.87 KMT2A (0.36) BCAT2BCAT1GAAL3MBTL1KMT2A
SCHEMBL8594988 0.87 L3MBTL1 (0.34) BCAT2BCAT1GAAL3MBTL1KMT2A
SCHEMBL7030310 0.85 L3MBTL1 (0.40) BCAT2BCAT1GAAL3MBTL1KDM4E
SCHEMBL8541763 0.85 GAA (0.34) BCAT2BCAT1GAAL3MBTL1KMT2A
SCHEMBL7499497 0.85 L3MBTL1 (0.33) BCAT2BCAT1GAAL3MBTL1KMT2A
SCHEMBL6987528 0.84 SMN1; SMN2 (0.32) BCAT2BCAT1GAAL3MBTL1KMT2A
SCHEMBL7030894 0.83 BCAT2 (0.35) BCAT2BCAT1L3MBTL1KMT2AMEN1
SCHEMBL7026368 0.83 RET (0.37) BCAT2BCAT1L3MBTL1KMT2ASMN1; SMN2

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-1330443-A1 SUBSTITUTED PHENYLURACILS Bayer CropScience AG (DE) 2003-07-30 EP disclosed
WO-2002034725-A1 SUBSTITUTED PHENYLURACILS BAYER CROPSCIENCE AG (DE) 2002-05-02 WO disclosed