SCHEMBL21709014

SCHEMBL21709014

c1ccc(-c2cccc(-n3c4ccc(-c5cc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c6ccccc56)cc4c4ccc5ccccc5c43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSPO P30536 2/20 0.34
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGER4 P35408 1/20 0.31
PTGES O14684 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
WNK1 Q9H4A3 1/20 0.31
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 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
SCHEMBL19933766 0.92 KDM4E (0.43) ATMKDM4EL3MBTL1TSPOKMT2A
SCHEMBL21709199 0.91 CA12 (0.40) ATMKDM4EL3MBTL1PDE10AMEN1
SCHEMBL17989570 0.90 ATM (0.43) ATMKDM4EL3MBTL1PDE10AMEN1
SCHEMBL18810673 0.89 KDM4E (0.38) ATMKDM4EL3MBTL1PDE10AMEN1
SCHEMBL23195499 0.89 ATM (0.44) ATMKDM4EL3MBTL1PDE10AMEN1
SCHEMBL18810653 0.88 HSD17B1 (0.39) ATMKDM4EL3MBTL1MEN1GAA
SCHEMBL15480013 0.88 ATM (0.41) ATMKDM4EL3MBTL1TSPOPDE10A
SCHEMBL19213869 0.87 L3MBTL1 (0.34) ATMKDM4EL3MBTL1TSPOPDE10A
SCHEMBL19213864 0.87 L3MBTL1 (0.34) ATMKDM4EL3MBTL1TSPOPDE10A
SCHEMBL18810630 0.87 L3MBTL1 (0.41) ATMKDM4EL3MBTL1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed