SCHEMBL22989110

SCHEMBL22989110

c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-n4c5ccc6cccc7oc8cccc9ccc4c(c98)c5c67)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
PTGER4 P35408 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PTGES O14684 1/20 0.32
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GSR P00390 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL22989047 0.95 L3MBTL1 (0.35) L3MBTL1KDM4EATMSIRT2SIRT1
SCHEMBL23030693 0.93 SIRT2 (0.34) L3MBTL1KDM4EATMPTGER4SIRT2
SCHEMBL23030692 0.89 SIRT2 (0.33) L3MBTL1KDM4EATMSIRT2SIRT1
SCHEMBL24245802 0.88 SIRT2 (0.38) L3MBTL1KDM4ESIRT2SIRT1CASP1
SCHEMBL22988570 0.88 SIRT2 (0.34) L3MBTL1KDM4EATMSIRT2SIRT1
SCHEMBL18877004 0.87 KDM4E (0.41) L3MBTL1KDM4EATMPTGER4PTGES
SCHEMBL22988951 0.87 KDM4E (0.35) L3MBTL1KDM4EATMPTGER4PTGES
SCHEMBL24839418 0.87 KDM4E (0.35) L3MBTL1KDM4EATMPTGER4PTGES
SCHEMBL24104176 0.87 KDM4E (0.38) L3MBTL1KDM4EATMPTGER4SIRT2
SCHEMBL19653888 0.86 SIRT2 (0.35) L3MBTL1KDM4EATMPTGER4SIRT2

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed