SCHEMBL20114604

SCHEMBL20114604

c1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MGLL Q99685 1/20 0.32
TSPO P30536 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
BCHE P06276 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL20114206 0.95 HDAC6 (0.34) ATMKDM4EL3MBTL1TSPOHDAC4
SCHEMBL20114182 0.95 KDM4E (0.36) ATMKDM4EL3MBTL1TSPOHDAC4
SCHEMBL20114603 0.95 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL20114261 0.94 ATM (0.34) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL20114044 0.94 L3MBTL1 (0.37) ATMKDM4EL3MBTL1HDAC4HDAC6
SCHEMBL20114271 0.94 ATM (0.37) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL20114823 0.94 L3MBTL1 (0.40) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL20114231 0.93 L3MBTL1 (0.41) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL17915820 0.93 L3MBTL1 (0.35) ATMKDM4EL3MBTL1HDAC4HDAC6
SCHEMBL20114047 0.93 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1

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