SCHEMBL19061798

SCHEMBL19061798

CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDK2 Q15119 3/20 0.34
▸ TSPO P30536 2/20 0.34
▸ HDAC4 P56524 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ NPY5R Q15761 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
SCHEMBL19061252 0.97 PDK2 (0.38) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL19061214 0.95 PDK2 (0.37) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL23370606 0.94 L3MBTL1 (0.40) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL18624823 0.94 KDM4E (0.34) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL18020697 0.94 L3MBTL1 (0.40) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL18020699 0.93 KDM4E (0.36) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL19061532 0.93 KDM4E (0.35) KDM4EATML3MBTL1PDK2HDAC4
SCHEMBL19061803 0.92 KDM4E (0.37) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL14212264 0.92 TSPO (0.35) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL19061269 0.92 PTGER4 (0.31) PDK2TSPONPY5R

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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