SCHEMBL16613677

SCHEMBL16613677

CC1(C)c2ccccc2-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4sccc34)c21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL16613461 0.89 VCP (0.33)
SCHEMBL16613592 0.85 KDM4E (0.36) PTGER4KDM4EATML3MBTL1MEN1
SCHEMBL16613564 0.85 KDM4E (0.36) PTGER4KDM4EATML3MBTL1MEN1
SCHEMBL16613717 0.84 KDM4E (0.37) PTGER4KDM4EATML3MBTL1MEN1
SCHEMBL16613565 0.84 KDM4E (0.35) PTGER4KDM4EATML3MBTL1MEN1
SCHEMBL16613638 0.83 PTGER4 (0.32) PTGER4KDM4EATML3MBTL1
SCHEMBL16613660 0.83 PTGER4 (0.32) PTGER4KDM4EATML3MBTL1
SCHEMBL16613566 0.82 KDM4E (0.40) PTGER4KDM4EATML3MBTL1MEN1
SCHEMBL16613563 0.82
SCHEMBL16613591 0.82 KDM4E (0.35) PTGER4KDM4EATML3MBTL1MEN1

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed