SCHEMBL19061218

SCHEMBL19061218

CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TSPO P30536 1/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ FLT3 P36888 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
SCHEMBL19061247 0.99 PDK2 (0.35) PDK2PDE10AKDM4EATML3MBTL1
SCHEMBL19061806 0.96 PDK2 (0.32) PDK2PDE10AKDM4EATML3MBTL1
SCHEMBL15248668 0.96 KDM4E (0.36) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL8734503 0.95 KDM4E (0.37) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL8737508 0.95 KDM4E (0.35) PDK2PDE10AKDM4EATML3MBTL1
SCHEMBL19061510 0.94 PDK2 (0.34) PDK2PDE10AKDM4EATML3MBTL1
SCHEMBL19061212 0.94 PDK2 (0.36) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL14425655 0.94 KDM4E (0.36) PDK2PDE10AKDM4EATML3MBTL1
SCHEMBL19061318 0.93 PDK2 (0.35) PDK2PDE10AKDM4EATML3MBTL1
SCHEMBL19845430 0.93 PDE10A (0.32) PDK2PDE10AKDM4EATML3MBTL1

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-2017111389-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE INCLUDING SAME 주식회사 두산 2017-06-29 — — WO disclosed
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