SCHEMBL5019775

SCHEMBL5019775

O=c1c2cc(-c3ccc4c(ccc5ccccc54)c3)ccc2sc2ccc(-c3ccc4c(ccc5ccccc54)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1B1 Q16678 4/20 0.42
HSD17B10 Q99714 2/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A1 P04798 3/20 0.41
AKR1B1 P15121 2/20 0.41
HPRT1 P00492 1/20 0.41
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.39
PAX8 Q06710 1/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL5019898 0.93 KDM4E (0.51) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL5019906 0.93 KDM4E (0.50) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL5019869 0.89 CYP1B1 (0.44) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL5019895 0.88 KDM4E (0.49) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL26503473 0.87 KDM4E (0.57) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL22171901 0.87 KDM4E (0.57) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL15945892 0.85 GPR3 (0.47) ALDH1A1MAPTTDP1RAB9ACYP1B1
SCHEMBL5019777 0.84 KDM4E (0.56) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL5019771 0.84 KDM4E (0.49) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL27026495 0.84 GPR3 (0.45) KDM4EALDH1A1MAPTTDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952367-B2 Thioxanthone compound and organic light emitting element having the same CANON KABUSHIKI KAISHA (JP) 2015-02-10 US disclosed
US-8952367-B2 Thioxanthone compound and organic light emitting element having the same CANON KABUSHIKI KAISHA (JP) 2015-02-10 US disclosed
US-20130221340-A1 THIOXANTHONE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-08-29 US disclosed
US-20130221340-A1 THIOXANTHONE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-08-29 US disclosed
WO-2012063751-A1 THIOXANTHONE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-18 WO disclosed