SCHEMBL14099800

SCHEMBL14099800

c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP1A2 P05177 2/20 0.32
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
GPR84 Q9NQS5 2/20 0.32
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15762797 0.94 ESR1 (0.33) ESR1ESR2CYP1A2ERBB2FYN
SCHEMBL12368396 0.90 CYP1A2 (0.40) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL14099797 0.88 CYP1A2 (0.36) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4021104 0.88 ALDH1A1 (0.38) HSD17B1HSD17B2CYP1A2ERBB2FYN
SCHEMBL14099798 0.86 ESR1 (0.33) ESR1ESR2CYP1A2ERBB2FYN
SCHEMBL13615759 0.85 MCL1 (0.43) CYP1A2GPR84MCL1ACMSDCA12
SCHEMBL15762798 0.85 ESR1 (0.33) ESR1ESR2CYP1A2ERBB2FYN
SCHEMBL12128625 0.84 ALDH1A1 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12269901 0.84 MCL1 (0.34) MCL1ACMSDALDH1A1HPGDHSD17B10
SCHEMBL14099812 0.84 ESR1 (0.33) HSD17B1HSD17B2ESR1ESR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9620721-B2 OLEDs having high efficiency and excellent lifetime GLOBAL OLED TECHNOLOGY LLC (US) 2017-04-11 US disclosed
US-9620721-B2 OLEDs having high efficiency and excellent lifetime GLOBAL OLED TECHNOLOGY LLC (US) 2017-04-11 US disclosed
US-8795855-B2 OLEDs having high efficiency and excellent lifetime GLOBAL OLED TECHNOLOGY LLC (US) 2014-08-05 US disclosed
US-8795855-B2 OLEDs having high efficiency and excellent lifetime GLOBAL OLED TECHNOLOGY LLC (US) 2014-08-05 US disclosed
US-20140151676-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME GLOBAL OLED TECHNOLOGY LLC (US) 2014-06-05 US disclosed
US-20140151676-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME GLOBAL OLED TECHNOLOGY LLC (US) 2014-06-05 US disclosed
US-20080182129-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME GLOBAL OLED TECHNOLOGY LLC 2008-07-31 US disclosed
US-20080182129-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME GLOBAL OLED TECHNOLOGY LLC 2008-07-31 US disclosed