SCHEMBL17931978

SCHEMBL17931978

c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6cccc7c6ccc6oc8ccccc8c67)ccc5c4)c4ccccc34)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PSD A5PKW4 1/20 0.34
AHR P35869 3/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL19109841 0.94 HCRTR1 (0.39) TDP1L3MBTL1CYP1A1CYP1B1ABCG2
SCHEMBL17943910 0.94 TDP1 (0.38) TDP1L3MBTL1MCL1ACMSDALOX5
SCHEMBL17931895 0.94 L3MBTL1 (0.39) TDP1L3MBTL1ALOX5CYP1A1CYP1B1
SCHEMBL17944656 0.93 ALOX5 (0.39) TDP1L3MBTL1MCL1ACMSDALOX5
SCHEMBL20127346 0.92 TDP1 (0.44) TDP1L3MBTL1CYP1A1ABCG2MEN1
SCHEMBL17931946 0.92 TDP1 (0.38) TDP1L3MBTL1MCL1ACMSDALOX5
SCHEMBL19076451 0.91 L3MBTL1 (0.36) TDP1L3MBTL1ALOX5ABCG2MEN1
SCHEMBL17931962 0.91 TDP1 (0.38) TDP1L3MBTL1ALOX5CYP1A1CYP1B1
SCHEMBL17945063 0.91 TDP1 (0.38) TDP1L3MBTL1ALOX5CYP1A1CYP1B1
SCHEMBL22063384 0.91 TDP1 (0.39) TDP1L3MBTL1MCL1ACMSDALOX5

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-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
EP-3048654-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2016-07-27 EP disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed