SCHEMBL5504032

SCHEMBL5504032

Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc3c2)cc1.c1ccc2c(N(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.43
CYP1A2 P05177 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 6/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAOA P21397 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.36
CYP2D6 P10635 1/20 0.35
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL18134987 0.98 HTT (0.44) CYP2A6CYP1A2L3MBTL1HTTNPSR1
SCHEMBL5051402 0.97 L3MBTL1 (0.43) CYP2A6CYP1A2L3MBTL1HTTNPSR1
SCHEMBL18134986 0.95 HTT (0.44) CYP2A6CYP1A2L3MBTL1HTTNPSR1
SCHEMBL18134990 0.95 HTT (0.44) CYP2A6CYP1A2L3MBTL1HTTNPSR1
SCHEMBL17702092 0.95 CYP2A6 (0.44) CYP2A6CYP1A2L3MBTL1HTTNPSR1
SCHEMBL19763123 0.94 HTT (0.42) CYP2A6CYP1A2L3MBTL1HTTNPSR1
SCHEMBL18134984 0.94 HTT (0.46) CYP2A6CYP1A2L3MBTL1HTTNPSR1
SCHEMBL16627123 0.94 HTT (0.46) CYP2A6CYP1A2L3MBTL1HTTNPSR1
SCHEMBL18134981 0.93 L3MBTL1 (0.43) CYP2A6CYP1A2L3MBTL1HTTNPSR1
SCHEMBL18134983 0.93 L3MBTL1 (0.43) CYP2A6CYP1A2L3MBTL1HTTNPSR1

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-1856228-A1 ELECTROLUMINESCENT DEVICES WITH MIXED ELECTRON TRANSPORT MATERIALS EASTMAN KODAK COMPANY (US) 2007-11-21 EP disclosed
WO-2006098885-A1 ELECTROLUMINESCENT DEVICES WITH MIXED ELECTRON TRANSPORT MATERIALS EASTMAN KODAK COMPANY (US) 2006-09-21 WO disclosed
EP-1578887-A2 COMPLEX FLUORENE-CONTAINING COMPOUNDS FOR USE IN OLED DEVICES Eastman Kodak Company (US) 2005-09-28 EP disclosed
WO-2004061047-A2 COMPLEX FLUORENE-CONTAINING COMPOUNDS FOR USE IN ORGANIC LIGHT EMITTING DEVICES EASTMAN KODAK COMPANY (US) 2004-07-22 WO disclosed