SCHEMBL5019869

SCHEMBL5019869

O=c1c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2sc2cc(-c3ccc4c(ccc5ccccc54)c3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 2/20 0.42
CYP1A1 P04798 3/20 0.42
AKR1B1 P15121 2/20 0.42
HPRT1 P00492 1/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
PAX8 Q06710 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 1/20 0.39
CA12 O43570 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
SCHEMBL5019775 0.89 KDM4E (0.49) CYP1B1ALDH1A1HSD17B10HIF1AKDM4E
SCHEMBL5019906 0.85 KDM4E (0.50) CYP1B1ALDH1A1HSD17B10HIF1AKDM4E
SCHEMBL17692131 0.85 ALDH1A1 (0.49) CYP1B1ALDH1A1HSD17B10HIF1ACYP1A1
SCHEMBL20698494 0.83 ALDH1A1 (0.47) CYP1B1ALDH1A1HSD17B10HIF1ACYP1A1
SCHEMBL27026481 0.83 ALDH1A1 (0.47) CYP1B1ALDH1A1HSD17B10HIF1ACYP1A1
SCHEMBL23555946 0.83 CYP1B1 (0.47) CYP1B1ALDH1A1HSD17B10HIF1ACYP1A1
SCHEMBL15216401 0.82 KDM4E (0.47) ALDH1A1HSD17B10KDM4ETDP1MAPT
SCHEMBL8780627 0.82 ALDH1A1 (0.52) CYP1B1ALDH1A1HSD17B10HIF1ACYP1A1
SCHEMBL5019898 0.81 KDM4E (0.51) CYP1B1ALDH1A1HSD17B10HIF1AKDM4E
SCHEMBL31124705 0.80 LIMK1 (0.46) ALDH1A1KDM4ETDP1MAPTHPGD

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