SCHEMBL808056

SCHEMBL808056

c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cc(-c4ccccc4)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
BCHE P06276 3/20 0.37
PDK2 Q15119 3/20 0.37
MAOA P21397 2/20 0.33
DRD2 P14416 1/20 0.33
PDE6D O43924 1/20 0.33
TDP2 O95551 1/20 0.32
FAAH O00519 2/20 0.32
MGLL Q99685 2/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 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
SCHEMBL10039058 0.96 PDK2 (0.40) HDAC6BCHEPDK2MAOADRD2
SCHEMBL14823501 0.90 HDAC6 (0.44) HDAC6BCHEMAOAALDH1A1ACHE
SCHEMBL808000 0.87 PDK2 (0.38) PDK2PDE6DTDP2FAAHMGLL
SCHEMBL15183545 0.86 HDAC6 (0.41) HDAC6BCHEPDK2MAOAALDH1A1
SCHEMBL21688338 0.86 HDAC6 (0.41) HDAC6BCHEPDK2MAOAALDH1A1
SCHEMBL15183677 0.86 PDK2 (0.40) BCHEPDK2MAOAPDE6DTDP2
SCHEMBL14550896 0.85 HDAC6 (0.34) HDAC6PDK2
SCHEMBL25840616 0.85 PDK2 (0.33) PDK2
SCHEMBL10134252 0.85 HDAC6 (0.39) HDAC6BCHEMAOAHTTALDH1A1
SCHEMBL22183041 0.85 PDE6D (0.37) HDAC6BCHEPDK2PDE6D

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826079-B1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-01-20 EP disclosed
US-10454040-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
EP-3460864-A1 ELECTRONIC DEVICES Merck Patent GmbH (DE) 2019-03-27 EP disclosed
US-20180138439-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2018-05-17 US disclosed
US-20180138439-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2018-05-17 US disclosed
US-9947874-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-04-17 US disclosed
US-9947874-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-04-17 US disclosed
EP-2907173-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
US-9871201-B2 Electronic devices MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-9871201-B2 Electronic devices MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-9312495-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-04-12 US disclosed
US-9312495-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-04-12 US disclosed
US-20150236261-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-08-20 US disclosed
US-20150236261-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-08-20 US disclosed
US-20150115239-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-30 US disclosed
US-20150115239-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-30 US disclosed
WO-2014044344-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-03-27 WO disclosed
US-20130207046-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130207046-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
WO-2012034627-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 WO disclosed