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SCHEMBL19061709

SCHEMBL19061709

CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cccc4c5ccccc5n(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c34)cc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ DUSP3 P51452 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ MEN1 O00255 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 0.94 PDK2 (0.34) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL19061704 0.94 PDK2 (0.33) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL19061340 0.93 PDK2 (0.34) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL17809228 0.93 PDK2 (0.32) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL19061701 0.92 PDK2 (0.35) PDK2KDM4EDUSP3PDE10A
SCHEMBL19061806 0.91 PDK2 (0.32) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL19061531 0.91 PDK2 (0.32) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL8737508 0.90 KDM4E (0.35) PDK2KMT2AKDM4EPDE10AMEN1
SCHEMBL19061700 0.90 DUSP3 (0.34) PDK2KDM4EDUSP3
SCHEMBL19061420 0.90 DUSP3 (0.30) KMT2AALDH1A1MAPTHPGDDUSP3

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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