SCHEMBL5051402

SCHEMBL5051402

Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc3c2)cc1.c1ccc2c(N(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)c3cccc4ccccc34)cccc2c1.c1ccc2cc(N(c3ccc4cc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)ccc4c3)c3cccc4ccccc34)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2A6 P11509 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 4/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 6/20 0.38
MAOA P21397 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CNR2 P34972 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL18134990 0.98 HTT (0.44) L3MBTL1HTTNPSR1CYP2A6TDP1
SCHEMBL18134986 0.98 HTT (0.44) L3MBTL1HTTNPSR1CYP2A6TDP1
SCHEMBL18134987 0.98 HTT (0.44) L3MBTL1HTTNPSR1CYP2A6TDP1
SCHEMBL16627123 0.97 HTT (0.46) L3MBTL1HTTNPSR1CYP2A6TDP1
SCHEMBL18134984 0.97 HTT (0.46) L3MBTL1HTTNPSR1CYP2A6TDP1
SCHEMBL5504032 0.97 CYP2A6 (0.43) L3MBTL1HTTNPSR1CYP2A6TDP1
SCHEMBL18134981 0.96 L3MBTL1 (0.43) L3MBTL1HTTNPSR1CYP2A6TDP1
SCHEMBL18134983 0.96 L3MBTL1 (0.43) L3MBTL1HTTNPSR1CYP2A6TDP1
SCHEMBL18134992 0.96 L3MBTL1 (0.43) L3MBTL1HTTNPSR1CYP2A6TDP1
SCHEMBL17702092 0.95 CYP2A6 (0.44) L3MBTL1HTTNPSR1CYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1929533-A1 PATTERNING OLED DEVICE ELECTRODES AND OPTICAL MATERIAL EASTMAN KODAK COMPANY (US) 2008-06-11 EP disclosed
WO-2007041116-A1 PATTERNING OLED DEVICE ELECTRODES AND OPTICAL MATERIAL EASTMAN KODAK COMPANY (US) 2007-04-12 WO disclosed
WO-2004061048-A1 COMPLEX FLUORENE-CONTAINING COMPOUNDS AND ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2004-07-22 WO disclosed