SCHEMBL19061701

SCHEMBL19061701

CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c34)cc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.35
▸ DUSP3 P51452 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PGR P06401 2/20 0.31
▸ OPRD1 P41143 2/20 0.31
▸ TSPO P30536 1/20 0.30
▸ GRM5 P41594 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
SCHEMBL19061308 0.95 PDK2 (0.36) PDK2DUSP3PDE10AKDM4EATM
SCHEMBL19061424 0.94 DUSP3 (0.33) PDK2DUSP3
SCHEMBL19061435 0.94 ATM (0.35) PDK2DUSP3KDM4EATML3MBTL1
SCHEMBL19061700 0.94 DUSP3 (0.34) PDK2DUSP3KDM4EATML3MBTL1
SCHEMBL19061329 0.94 PDK2 (0.36) PDK2DUSP3PDE10AKDM4EATM
SCHEMBL19061708 0.93 KDM4E (0.39) PDK2DUSP3KDM4EATML3MBTL1
SCHEMBL19061702 0.93 DUSP3 (0.31) PDK2DUSP3PDE10AGRM5
SCHEMBL19061709 0.92 PDK2 (0.32) PDK2DUSP3PDE10AKDM4E
SCHEMBL19061354 0.92 DUSP3 (0.32) DUSP3KDM4EATML3MBTL1GRM5
SCHEMBL19061306 0.90 PDK2 (0.36) PDK2DUSP3PDE10AKDM4EATM

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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