SCHEMBL20114231

SCHEMBL20114231

c1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
FAAH O00519 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
MGLL Q99685 1/20 0.35
TSPO P30536 2/20 0.34
HDAC4 P56524 1/20 0.34
BCHE P06276 3/20 0.33
KMT2A Q03164 3/20 0.32
IL1R1 P14778 1/20 0.32
MEN1 O00255 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 1/20 0.31
ACHE P22303 1/20 0.31
PTGER4 P35408 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL20114823 0.99 L3MBTL1 (0.40) L3MBTL1ATMKDM4EALDH1A1HTT
SCHEMBL20114603 0.98 ATM (0.38) L3MBTL1ATMKDM4EALDH1A1HTT
SCHEMBL20114851 0.95 ATM (0.38) L3MBTL1ATMKDM4EALDH1A1HTT
SCHEMBL20114047 0.95 ATM (0.38) L3MBTL1ATMKDM4EALDH1A1HTT
SCHEMBL20114271 0.94 ATM (0.37) L3MBTL1ATMKDM4EALDH1A1HTT
SCHEMBL15470182 0.94 L3MBTL1 (0.42) L3MBTL1ATMKDM4EALDH1A1HTT
SCHEMBL20114042 0.94 L3MBTL1 (0.42) L3MBTL1ATMKDM4EALDH1A1HTT
SCHEMBL20114282 0.94 L3MBTL1 (0.42) L3MBTL1ATMKDM4EALDH1A1HTT
SCHEMBL20114386 0.93 L3MBTL1 (0.40) L3MBTL1ATMKDM4EALDH1A1FAAH
SCHEMBL10309966 0.93 L3MBTL1 (0.43) L3MBTL1ATMKDM4EALDH1A1TSPO

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