SCHEMBL16409588

SCHEMBL16409588

c1ccc2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)cc43)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
PMM2 O15305 1/20 0.41
MPI P34949 1/20 0.41
PHOSPHO1 Q8TCT1 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
BACE1 P56817 5/20 0.40
HTR3A P46098 2/20 0.40
GAA P10253 1/20 0.40
HTR3E A5X5Y0 1/20 0.40

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
SCHEMBL16409623 1.00 KDM4E (0.50) KDM4EATML3MBTL1F2F10
SCHEMBL274318 0.94 KDM4E (0.56) KDM4EATML3MBTL1F2F10
SCHEMBL30320243 0.94 KDM4E (0.56) KDM4EATML3MBTL1F2F10
SCHEMBL15164818 0.93 KDM4E (0.44) KDM4EATML3MBTL1F2F10
SCHEMBL6938289 0.93 KDM4E (0.50) KDM4EATML3MBTL1F2F10
SCHEMBL20149439 0.91 KDM4E (0.46) KDM4EATML3MBTL1F2F10
SCHEMBL19769526 0.91 KDM4E (0.53) KDM4EATML3MBTL1F2F10
SCHEMBL21369850 0.91 KDM4E (0.48) KDM4EATML3MBTL1F2F10
SCHEMBL13828934 0.91 KDM4E (0.48) KDM4EATML3MBTL1F2F10
SCHEMBL16593137 0.91 CYP2A6 (0.47) KDM4EATML3MBTL1F2F10

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-2015009102-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 (KR) 2015-01-22 WO disclosed