SCHEMBL20114808

SCHEMBL20114808

c1ccc(-c2cccc(N3c4ccccc4Oc4cc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)c7c6)c5)ccc43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
FAAH O00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MGLL Q99685 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
SCHEMBL20114370 0.96 KDM4E (0.35) ATMKDM4EL3MBTL1HDAC4EDNRB
SCHEMBL20114209 0.93 ATM (0.35) ATMKDM4EL3MBTL1HDAC4EDNRB
SCHEMBL20114594 0.93 L3MBTL1 (0.39) ATMKDM4EL3MBTL1HDAC4EDNRB
SCHEMBL20114203 0.92 L3MBTL1 (0.40) ATMKDM4EL3MBTL1HDAC4EDNRB
SCHEMBL15470370 0.91 KDM4E (0.36) ATMKDM4EL3MBTL1HDAC4EDNRB
SCHEMBL15469875 0.91 KDM4E (0.39) ATMKDM4EL3MBTL1HDAC4EDNRB
SCHEMBL15469924 0.91 L3MBTL1 (0.39) ATMKDM4EL3MBTL1HDAC4EDNRB
SCHEMBL22823575 0.90 KDM4E (0.35) ATMKDM4EL3MBTL1
SCHEMBL20114798 0.90 L3MBTL1 (0.40) ATMKDM4EL3MBTL1HDAC4EDNRB
SCHEMBL20114105 0.90 ATM (0.37) ATMKDM4EL3MBTL1HDAC4EDNRB

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-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed