SCHEMBL22250052

SCHEMBL22250052

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5cc6c(cc54)-c4ccccc4C6)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAT2A P31153 1/20 0.32
PARP1 P09874 1/20 0.32
SRD5A2 P31213 1/20 0.32
ABCG2 Q9UNQ0 4/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL19653396 0.94 PDE10A (0.35) KDM4EATML3MBTL1PARP1SRD5A2
SCHEMBL25121543 0.93 KDM4E (0.37) KDM4EATML3MBTL1PARP1SRD5A2
SCHEMBL18564114 0.90 KDM4E (0.35) KDM4EATML3MBTL1MAT2APARP1
SCHEMBL22249861 0.90 KDM4E (0.33) KDM4EATML3MBTL1MAT2AABCG2
SCHEMBL25972194 0.86 PRKDC (0.34) KDM4ELMNAMAPTTSHRMAPK1
SCHEMBL18676935 0.86 KDM4E (0.33) KDM4EATML3MBTL1SRD5A2MEN1
SCHEMBL18540453 0.86 KDM4E (0.41) KDM4EATML3MBTL1PARP1SRD5A2
SCHEMBL16744045 0.86 SRD5A2 (0.36) KDM4EATML3MBTL1SRD5A2MEN1
SCHEMBL15257520 0.85 MEN1 (0.35) KDM4EATML3MBTL1PARP1SRD5A2
SCHEMBL25989159 0.85 MAPT (0.35) KDM4EATML3MBTL1MAT2ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020149596-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-07-23 WO disclosed