SCHEMBL19061252

SCHEMBL19061252

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.38
▸ TSPO P30536 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC4 P56524 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ PGR P06401 1/20 0.31
▸ CAMK2D Q13557 1/20 0.31
▸ NPY5R Q15761 1/20 0.31

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
SCHEMBL19061214 0.99 PDK2 (0.37) PDK2TSPOKDM4EATML3MBTL1
SCHEMBL23370606 0.98 L3MBTL1 (0.40) PDK2TSPOKDM4EATML3MBTL1
SCHEMBL18020697 0.98 L3MBTL1 (0.40) PDK2TSPOKDM4EATML3MBTL1
SCHEMBL18020699 0.97 KDM4E (0.36) PDK2TSPOKDM4EATML3MBTL1
SCHEMBL19061798 0.97 KDM4E (0.35) PDK2TSPOKDM4EATML3MBTL1
SCHEMBL18624823 0.95 KDM4E (0.34) PDK2TSPOKDM4EATML3MBTL1
SCHEMBL14212264 0.95 TSPO (0.35) PDK2TSPOKDM4EATML3MBTL1
SCHEMBL18020680 0.95 KDM4E (0.42) PDK2TSPOKDM4EATML3MBTL1
SCHEMBL19061227 0.95 L3MBTL1 (0.42) PDK2TSPOKDM4EATML3MBTL1
SCHEMBL18020727 0.95 KDM4E (0.38) PDK2TSPOKDM4EATML3MBTL1

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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