SCHEMBL16985652

SCHEMBL16985652

CC(C)(O)C(C)(C)OBc1ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccc3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
TSPO P30536 1/20 0.33
NR4A2 P43354 2/20 0.32
PTGER4 P35408 1/20 0.32
EDNRA P25101 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDR P35968 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
SCHEMBL21129017 0.90 TSPO (0.38) KDM4EL3MBTL1ATMTSPONR4A2
SCHEMBL22021297 0.89 KDM4E (0.39) KDM4EL3MBTL1ATMTSPONR4A2
SCHEMBL24065233 0.89 KDM4E (0.38) KDM4EL3MBTL1ATMTSPOPTGER4
SCHEMBL16425015 0.89 KDM4E (0.45) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL21128839 0.88 TSPO (0.36) KDM4EL3MBTL1ATMTSPONR4A2
SCHEMBL21968774 0.88 KDM4E (0.37) KDM4EL3MBTL1ATMTSPOEDNRA
SCHEMBL14767449 0.86 KDM4E (0.45) KDM4EL3MBTL1ATMPTGER4KMT2A
SCHEMBL23510398 0.86 KDM4E (0.40) KDM4EL3MBTL1ATMPTGER4KMT2A
SCHEMBL21129002 0.83 KDM4E (0.36) KDM4EL3MBTL1ATMTSPOEDNRA
SCHEMBL18562511 0.83 KDM4E (0.36) KDM4EL3MBTL1ATMTSPOKMT2A

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-2015115756-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-08-06 WO disclosed