SCHEMBL20114044

SCHEMBL20114044

c1ccc(N2c3ccccc3Sc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HDAC4 P56524 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
KMT2A Q03164 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
SCHEMBL20114182 0.99 KDM4E (0.36) L3MBTL1KDM4EATMHDAC6EDNRB
SCHEMBL20114206 0.97 HDAC6 (0.34) L3MBTL1KDM4EATMHDAC6EDNRB
SCHEMBL20114048 0.95 L3MBTL1 (0.42) L3MBTL1KDM4EATMHDAC6EDNRB
SCHEMBL20114604 0.94 ATM (0.34) L3MBTL1KDM4EATMHDAC6EDNRB
SCHEMBL20114049 0.92 L3MBTL1 (0.40) L3MBTL1KDM4EATMHDAC6EDNRB
SCHEMBL15084745 0.92 L3MBTL1 (0.43) L3MBTL1KDM4EATMHDAC6EDNRB
SCHEMBL10309966 0.92 L3MBTL1 (0.43) L3MBTL1KDM4EATMHDAC6EDNRB
SCHEMBL10331707 0.92 L3MBTL1 (0.45) L3MBTL1KDM4EATMHDAC6EDNRB
SCHEMBL20114043 0.92 L3MBTL1 (0.45) L3MBTL1KDM4EATMHDAC6EDNRB
SCHEMBL10331693 0.92 L3MBTL1 (0.45) L3MBTL1KDM4EATMHDAC6EDNRB

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