SCHEMBL19933766

SCHEMBL19933766

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8cc9c%10ccccc%10n(-c%10ccccc%10)c9c9ccccc89)ccc76)cc5)cc4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC4 P56524 1/20 0.35
PTGER4 P35408 1/20 0.34
TSPO P30536 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PTGES O14684 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
NR3C1 P04150 1/20 0.31
KMT2A Q03164 1/20 0.30
IL1R1 P14778 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 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
SCHEMBL24765797 0.93 L3MBTL1 (0.47) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL26416271 0.93 L3MBTL1 (0.47) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL24627338 0.93 L3MBTL1 (0.47) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL21709014 0.92 ATM (0.36) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL17298652 0.91 L3MBTL1 (0.51) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL19167984 0.90 L3MBTL1 (0.47) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL28475943 0.90 L3MBTL1 (0.47) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL29412303 0.90 L3MBTL1 (0.47) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL16405418 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL16405417 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1HDAC4PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
EP-3744155-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-11-02 EP disclosed
EP-3601304-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
WO-2021053046-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-25 WO disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
EP-3526226-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
WO-2019145316-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
WO-2019115423-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-06-20 WO disclosed
WO-2018069197-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 WO disclosed