SCHEMBL17468822

SCHEMBL17468822

Cc1cccc(-c2ccc(Nc3ccccc3-c3cccc(-c4ccc(Nc5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccccc5)c4)c3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.40
PGR P06401 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.33
KMT2A Q03164 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ENPP3 O14638 1/20 0.33
HDAC2 Q92769 1/20 0.32
PTGER4 P35408 1/20 0.32
MAP4K4 O95819 1/20 0.32
TGFBR1 P36897 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
DGAT1 O75907 1/20 0.31
MAPKAPK2 P49137 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
SCHEMBL22517545 0.93 PDK2 (0.45) PDK2PGRNPSR1L3MBTL1ALDH1A1
SCHEMBL18767525 0.89 PDK2 (0.41) PDK2PGRALDH1A1LMNAPTGER4
SCHEMBL22156154 0.89 PDK2 (0.42) PDK2NPSR1MEN1ALDH1A1KMT2A
SCHEMBL17454691 0.89 PDK2 (0.41) PDK2PGRNPSR1L3MBTL1MEN1
SCHEMBL15713467 0.88 PDK2 (0.39) PDK2PGRNPSR1L3MBTL1MEN1
SCHEMBL29892218 0.88 PDK2 (0.39) PDK2PGRNPSR1L3MBTL1MEN1
SCHEMBL17533320 0.87 SIRT2 (0.34) PDK2NPSR1MEN1ALDH1A1LMNA
SCHEMBL16215960 0.87 PDK2 (0.37) PDK2
SCHEMBL17454740 0.86 PDK2 (0.35) PDK2NPSR1MEN1ALDH1A1LMNA
SCHEMBL17759698 0.86 PDK2 (0.39) PDK2NPSR1L3MBTL1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016013867-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-28 WO disclosed