SCHEMBL4078586

SCHEMBL4078586

CC(C)C1=CN(c2ccccc2C(F)(F)F)C(=O)[N]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
TDP1 Q9NUW8 5/20 0.43
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HCAR1 Q9BXC0 4/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
AADAT Q8N5Z0 1/20 0.36
APLNR P35414 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL4088979 0.80 L3MBTL1 (0.38) L3MBTL1TDP1ALDH1A1POLBMAPT
SCHEMBL17537377 0.63 MAPT (0.59) L3MBTL1TDP1ALDH1A1POLBMAPT
SCHEMBL74577 0.63 HCAR1 (0.46) L3MBTL1TDP1ALDH1A1POLBMAPT
SCHEMBL807279 0.62 P2RX7 (0.48) L3MBTL1TDP1ALDH1A1POLBKDM4E
SCHEMBL22552539 0.62 POLB (0.52) L3MBTL1TDP1ALDH1A1POLBMAPT
SCHEMBL12572956 0.62 TDP1 (0.45) L3MBTL1TDP1ALDH1A1POLBMAPT
SCHEMBL29510657 0.61 TLR9 (0.61) L3MBTL1TDP1ALDH1A1POLBMAPT
SCHEMBL663870 0.61 TLR9 (0.61) L3MBTL1TDP1ALDH1A1POLBMAPT
SCHEMBL8726258 0.60 LMNA (0.49) L3MBTL1TDP1ALDH1A1POLBMAPT
SCHEMBL8386512 0.60 POLB (0.50) L3MBTL1TDP1ALDH1A1POLBMAPT

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-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed