SCHEMBL17692004

SCHEMBL17692004

c1ccc2c(c1)c(-c1ncncn1)cc1ccc3ccc(-c4ncncn4)cc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK10 P53779 2/20 0.32
MAPK9 P45984 1/20 0.32
ERBB2 P04626 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 1/20 0.31
MAPT P10636 2/20 0.31
CYP11B1 P15538 1/20 0.30

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
SCHEMBL17691981 0.90 CYP1A2 (0.37) TDO2ALDH1A1HPGDTSHRMAPK1
SCHEMBL17691999 0.89 ALDH1A1 (0.35) TDO2ALDH1A1HPGDTSHRMAPK1
SCHEMBL17691987 0.87 ALDH1A1 (0.42) TDO2ALDH1A1HPGDTSHRMAPK1
SCHEMBL17692041 0.87 ALDH1A1 (0.35) TDO2ALDH1A1HPGDTSHRMAPK1
SCHEMBL13408708 0.84 ALDH1A1 (0.42) TDO2ALDH1A1HPGDTSHRMAPK1
SCHEMBL17692010 0.82 MAPT (0.41) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17692016 0.77 KDM4E (0.41) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL13615922 0.77 PARP1 (0.31) TDO2ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL13615949 0.77 PARP1 (0.31) TDO2ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL13615765 0.77 PARP1 (0.31) TDO2ALDH1A1HPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed