SCHEMBL8385174

SCHEMBL8385174

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
EPAS1 Q99814 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
SCHEMBL7499497 0.84 L3MBTL1 (0.33) L3MBTL1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL8906963 0.81 L3MBTL1 (0.36) L3MBTL1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL7030310 0.80 L3MBTL1 (0.40) L3MBTL1
SCHEMBL7010249 0.80 KMT2A (0.36) L3MBTL1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6984955 0.79 BCAT2 (0.36) L3MBTL1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL8560520 0.78 MEN1 (0.34) L3MBTL1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL8381949 0.78 L3MBTL1 (0.34) L3MBTL1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL8594988 0.78 L3MBTL1 (0.34) L3MBTL1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL9756676 0.77 XPO1 (0.34)
SCHEMBL8383448 0.77 SMN1; SMN2 (0.33) L3MBTL1KMT2AMEN1SMN1; SMN2TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912527-A1 SUBSTITUTED AROMATIC CARBONYL COMPOUNDS AND THEIR DERIVATIVES BAYER AG (DE) 1999-05-06 EP disclosed
EP-0906291-A1 SUBSTITUTED PHENYL URACILS BAYER AG (DE) 1999-04-07 EP disclosed
EP-0843667-A1 SUBSTITUTED PHENYLURACILS BAYER AG (DE) 1998-05-27 EP disclosed
WO-1998002422-A1 SUBSTITUTED AROMATIC CARBONYL COMPOUNDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-01-22 WO disclosed
WO-1997045418-A1 SUBSTITUTED PHENYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed
WO-1997005118-A1 SUBSTITUTED PHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed