SCHEMBL19061700

SCHEMBL19061700

CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c34)cc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL19061306 0.95 PDK2 (0.36) DUSP3PDK2KDM4EATML3MBTL1
SCHEMBL19061701 0.94 PDK2 (0.35) DUSP3PDK2KDM4EATML3MBTL1
SCHEMBL19061420 0.93 DUSP3 (0.30) DUSP3
SCHEMBL19061336 0.93 PDK2 (0.36) DUSP3PDK2KDM4EATML3MBTL1
SCHEMBL19061417 0.91 CYP17A1 (0.34) DUSP3PDK2
SCHEMBL19061708 0.91 KDM4E (0.39) DUSP3PDK2KDM4EATML3MBTL1
SCHEMBL19061308 0.90 PDK2 (0.36) DUSP3PDK2KDM4EATML3MBTL1
SCHEMBL19061709 0.90 PDK2 (0.32) DUSP3PDK2KDM4E
SCHEMBL19061704 0.90 PDK2 (0.33) DUSP3PDK2KDM4EATML3MBTL1
SCHEMBL19061435 0.89 ATM (0.35) DUSP3PDK2KDM4EATML3MBTL1

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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