SCHEMBL19061340

SCHEMBL19061340

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c6ccccc6n(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c45)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ACACA Q13085 2/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL19061304 0.97 PDK2 (0.34) PDK2PDE10AKMT2AKDM4EALDH1A1
SCHEMBL19061330 0.94 PDK2 (0.36) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL17809228 0.93 PDK2 (0.32) PDK2PDE10AKMT2AKDM4EALDH1A1
SCHEMBL19061709 0.93 PDK2 (0.32) PDK2PDE10AKMT2AKDM4EALDH1A1
SCHEMBL8737508 0.93 KDM4E (0.35) PDK2PDE10AKMT2AKDM4EACACA
SCHEMBL19061329 0.93 PDK2 (0.36) PDK2PDE10AKMT2AKDM4EALDH1A1
SCHEMBL19061691 0.92 PDE10A (0.33) PDK2PDE10AKMT2AKDM4EALDH1A1
SCHEMBL19061247 0.91 PDK2 (0.35) PDK2PDE10AKMT2AKDM4EALDH1A1
SCHEMBL19061318 0.91 PDK2 (0.35) PDK2PDE10AKMT2AKDM4EALDH1A1
SCHEMBL17809238 0.91 DUSP3 (0.32) PDK2PDE10AKDM4EDUSP3L3MBTL1

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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