SCHEMBL17660874

SCHEMBL17660874

Cc1cccc(-c2ccc(Nc3ccc(-c4ccc(Nc5ccc(-c6cccc(C)c6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
PTGER4 P35408 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
HDAC2 Q92769 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MAPKAPK2 P49137 2/20 0.40
MCL1 Q07820 1/20 0.39
ALK Q9UM73 1/20 0.39
FYN P06241 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1931336 0.94 NPSR1 (0.53) NPSR1PTGER4FNTAFNTBHDAC2
SCHEMBL17661366 0.93 NPSR1 (0.51) NPSR1PTGER4HDAC2L3MBTL1MEN1
SCHEMBL21913009 0.92 NPSR1 (0.50) NPSR1PTGER4FNTAFNTBHDAC2
SCHEMBL17463569 0.89 PTGER4 (0.43) NPSR1PTGER4L3MBTL1MEN1GAA
SCHEMBL17454690 0.89 ALK (0.44) NPSR1PTGER4L3MBTL1MEN1GAA
SCHEMBL14877562 0.89 ALK (0.44) NPSR1PTGER4L3MBTL1MEN1GAA
SCHEMBL17547231 0.89 ALK (0.44) NPSR1PTGER4L3MBTL1MEN1GAA
SCHEMBL15662804 0.88 ALK (0.46) NPSR1PTGER4L3MBTL1MEN1GAA
SCHEMBL22435802 0.88 ALK (0.46) NPSR1PTGER4L3MBTL1MEN1GAA
SCHEMBL20484337 0.88 ALK (0.46) NPSR1PTGER4L3MBTL1MEN1GAA

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-2016052835-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-04-07 WO disclosed