SCHEMBL22989253

SCHEMBL22989253

c1ccc(-c2nc(-c3ccc4cc(-n5c6ccc7cccc8sc9cccc%10ccc5c(c%109)c6c78)ccc4c3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
S1PR5 Q9H228 2/20 0.31
S1PR4 O95977 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
SCHEMBL22989228 0.92 S1PR5 (0.32) S1PR5S1PR4
SCHEMBL22988913 0.89 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL22989247 0.88 MAPK10 (0.36) KDM4EATM
SCHEMBL22989251 0.88 S1PR5 (0.31) S1PR5S1PR4
SCHEMBL22989250 0.87 MAPK10 (0.38) KDM4E
SCHEMBL22988911 0.86 S1PR5 (0.33) S1PR5S1PR4
SCHEMBL26023166 0.85 RPA1 (0.34) S1PR5S1PR4
SCHEMBL22989246 0.85 CYP11B1 (0.36) KDM4E
SCHEMBL22988979 0.85 MAPK10 (0.35) KDM4E
SCHEMBL22989255 0.85 RPA1 (0.33) KDM4E

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