SCHEMBL8560520

SCHEMBL8560520

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
WDR5 P61964 5/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
AR P10275 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30
MALT1 Q9UDY8 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
SCHEMBL8647550 0.86 ACLY (0.37) MEN1KMT2AWDR5SMN1; SMN2TDP1
SCHEMBL7261353 0.83 PGR (0.45) ARSMN1; SMN2TDP1
SCHEMBL8893381 0.83 PGR (0.39) MEN1KMT2AARSMN1; SMN2TDP1
SCHEMBL8906963 0.83 L3MBTL1 (0.36) MEN1KMT2AARSMN1; SMN2GAA
SCHEMBL7010249 0.82 KMT2A (0.36) MEN1KMT2AARSMN1; SMN2GAA
SCHEMBL6984955 0.81 BCAT2 (0.36) MEN1KMT2ASMN1; SMN2GAATDP1
SCHEMBL8381949 0.80 L3MBTL1 (0.34) MEN1KMT2ASMN1; SMN2GAATDP1
SCHEMBL8594988 0.80 L3MBTL1 (0.34) MEN1KMT2ASMN1; SMN2GAATDP1
SCHEMBL8890963 0.80 MEN1 (0.33) MEN1KMT2A
SCHEMBL8541763 0.79 GAA (0.34) MEN1KMT2AARSMN1; SMN2GAA

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-0843667-A1 SUBSTITUTED PHENYLURACILS BAYER AG (DE) 1998-05-27 EP disclosed
EP-0835247-A1 SUBSTITUTED CARBONYLAMINOPHENYLURACILS BAYER AG (DE) 1998-04-15 EP disclosed
WO-1997007105-A1 SUBSTITUTED QUINAZOLIN(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-27 WO disclosed
WO-1997005118-A1 SUBSTITUTED PHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed