SCHEMBL17692012

SCHEMBL17692012

c1ccc(-c2ccnc(-c3ccc4c(ccc5cc(-c6cc(-c7ccccn7)ccn6)c6ccccc6c54)c3)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.38
DHODH Q02127 1/20 0.38
AHR P35869 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
KLF5 Q13887 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL17691984 0.92 DHODH (0.41) DHODHAHRKDM4EALDH1A1LMNA
SCHEMBL17692003 0.90 PIK3CA (0.38) TGFBR1AHRMAPKAPK2KDM4EALDH1A1
SCHEMBL17692072 0.89 TGFBR1 (0.40) TGFBR1DHODHAHRKDM4EALDH1A1
SCHEMBL17692018 0.85 ERN1 (0.50) TGFBR1
SCHEMBL17691900 0.84 KDM4E (0.44) TGFBR1DHODHMAPKAPK2KDM4EALDH1A1
SCHEMBL17692017 0.80 NPC1 (0.50) AHRKDM4EALDH1A1LMNATP53
SCHEMBL17691996 0.78 AHR (0.51) TGFBR1AHRKDM4EALDH1A1LMNA
SCHEMBL17692028 0.78 CYP3A4 (0.42) AHRKDM4EALDH1A1LMNAMAPT
SCHEMBL17691990 0.78 KDM4E (0.47) TGFBR1AHRKDM4EALDH1A1LMNA
SCHEMBL17691840 0.78 KDM4E (0.50) DHODHKDM4EALDH1A1LMNATP53

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