SCHEMBL5019893

SCHEMBL5019893

CC1(C)c2ccccc2-c2c(-c3ccc4sc5ccc(-c6cccc7c6-c6ccccc6C7(C)C)cc5c(=O)c4c3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PGR P06401 6/20 0.35
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32
ALOX5 P09917 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
SLC9A1 P19634 2/20 0.32
PDK2 Q15119 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL5019794 0.84 KDM4E (0.40) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL5019792 0.84 KDM4E (0.40) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL15216408 0.80 MAPT (0.44) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL15216405 0.80 MAPT (0.44) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL18267497 0.80 PGR (0.38) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL5019914 0.79 PDK2 (0.39) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL17886436 0.79 ALOX5 (0.38) ALDH1A1MAPTRAB9ATDP1L3MBTL1
SCHEMBL22240595 0.78 PIM3 (0.32) SLC9A1
SCHEMBL14702096 0.77 PTPRC (0.38) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL19039184 0.77 SLC9A1 (0.33) CHEK1WEE1SLC9A1ALOX15TSHR

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