SCHEMBL5019894

SCHEMBL5019894

O=c1c2cc(-c3cccc4ccccc34)ccc2sc2ccc(-c3cccc4ccccc34)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MCL1 Q07820 3/20 0.47
ACMSD Q8TDX5 1/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
POLB P06746 1/20 0.44
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
PRKDC P78527 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALPL P05186 1/20 0.41

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
SCHEMBL14410440 0.90 MCL1 (0.47) KDM4EMCL1ACMSDCA12CA1
SCHEMBL5019771 0.84 KDM4E (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL5019898 0.83 KDM4E (0.51) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL5019789 0.81 KDM4E (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13706287 0.81 MCL1 (0.44) KDM4EMCL1ACMSDALDH1A1MAPT
SCHEMBL15216402 0.81 ALOX5 (0.62) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13979505 0.81 CA12 (0.47) KDM4EMCL1ACMSDALDH1A1MAPT
SCHEMBL15180605 0.81 MCL1 (0.43) KDM4EMCL1ACMSDALDH1A1L3MBTL1
SCHEMBL5019775 0.81 KDM4E (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL12023535 0.80 CA12 (0.46) MCL1ACMSDALDH1A1MAPTRAB9A

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