SCHEMBL22698388

SCHEMBL22698388

Clc1cncc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.33
AHR P35869 1/20 0.32
HDAC4 P56524 1/20 0.32
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
BRCA1 P38398 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FAAH O00519 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL22698378 0.92 ATM (0.36) KDM4EATML3MBTL1AHRHDAC4
SCHEMBL9890537 0.85 L3MBTL1 (0.49) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL14770577 0.85 KDM4E (0.43) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL25257176 0.83 KDM4E (0.44) KDM4EATML3MBTL1PTGER4AHR
SCHEMBL30459395 0.83 KDM4E (0.44) KDM4EATML3MBTL1PTGER4AHR
SCHEMBL9890540 0.83 L3MBTL1 (0.46) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL11987385 0.83 KDM4E (0.51) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL13309687 0.83 KDM4E (0.51) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL10348853 0.83 KDM4E (0.51) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL10349401 0.83 KDM4E (0.51) KDM4EATML3MBTL1PTGER4HDAC4

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-2019212287-A9 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed