SCHEMBL6987528

SCHEMBL6987528

Cn1c(C(F)(F)F)c(-c2cc(CBr)c(C#N)cc2F)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
BCAT2 O15382 3/20 0.31
BCAT1 P54687 3/20 0.31
GAA P10253 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 0.87 L3MBTL1 (0.36) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A
SCHEMBL6984955 0.84 BCAT2 (0.36) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A
SCHEMBL7010249 0.84 KMT2A (0.36) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A
SCHEMBL8381949 0.84 L3MBTL1 (0.34) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A
SCHEMBL8594988 0.84 L3MBTL1 (0.34) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A
SCHEMBL7499497 0.82 L3MBTL1 (0.33) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A
SCHEMBL7030310 0.82 L3MBTL1 (0.40) L3MBTL1BCAT2BCAT1GAA
SCHEMBL8541763 0.82 GAA (0.34) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A
SCHEMBL7026368 0.81 RET (0.37) SMN1; SMN2TDP1L3MBTL1KMT2ABCAT2
SCHEMBL7030894 0.81 BCAT2 (0.35) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A

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