SCHEMBL10045663

SCHEMBL10045663

O=C1c2cc(-c3cc4c5ccccc5ccc4c4ccccc34)ccc2CCc2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPRT1 P00492 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 3/20 0.41
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2D6 P10635 2/20 0.39
HIF1A Q16665 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38

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
SCHEMBL10045918 0.88 TDP1 (0.44) TDP1L3MBTL1HPRT1CYP2C9CYP2C19
SCHEMBL10045660 0.87 CYP2C9 (0.33) TDP1L3MBTL1HPRT1CYP2C9CYP2C19
SCHEMBL10045915 0.84 L3MBTL1 (0.49) TDP1L3MBTL1ALDH1A1MEN1USP2
SCHEMBL10045891 0.83 EDNRB (0.52) TDP1L3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL10045920 0.82 TYRO3 (0.41) TDP1L3MBTL1CYP2C9CYP2C19CYP1A2
SCHEMBL22797160 0.81 TDP1 (0.54) TDP1L3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL12177810 0.80 CYP1A2 (0.39) TDP1HPRT1CYP2C9CYP2C19CYP1A2
SCHEMBL22797580 0.78 EDNRB (0.48) TDP1L3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL14925857 0.78 GSTP1 (0.53) TDP1L3MBTL1CYP2C9CYP2C19CYP1A2
SCHEMBL10045892 0.77 L3MBTL1 (0.49) TDP1L3MBTL1MEN1USP2LMNA

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
US-20130112965-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130112965-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
WO-2012008558-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2012-01-19 WO disclosed