SCHEMBL20114047

SCHEMBL20114047

c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)ccc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSPO P30536 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
BCHE P06276 3/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.33
HDAC4 P56524 1/20 0.32
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 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
SCHEMBL20114851 1.00 ATM (0.38) ATML3MBTL1KDM4ETSPOHDAC6
SCHEMBL20114271 0.99 ATM (0.37) ATML3MBTL1KDM4ETSPOHDAC6
SCHEMBL20114603 0.98 ATM (0.38) ATML3MBTL1KDM4ETSPOHDAC6
SCHEMBL20114231 0.95 L3MBTL1 (0.41) ATML3MBTL1KDM4ETSPOHDAC6
SCHEMBL20114049 0.95 L3MBTL1 (0.40) ATML3MBTL1KDM4ETSPOHDAC6
SCHEMBL20114057 0.94 L3MBTL1 (0.37) ATML3MBTL1KDM4ETSPOHDAC6
SCHEMBL20114823 0.94 L3MBTL1 (0.40) ATML3MBTL1KDM4ETSPOHDAC6
SCHEMBL15470182 0.94 L3MBTL1 (0.42) ATML3MBTL1KDM4ETSPOHDAC6
SCHEMBL20114042 0.94 L3MBTL1 (0.42) ATML3MBTL1KDM4ETSPOHDAC6
SCHEMBL20114282 0.94 L3MBTL1 (0.42) ATML3MBTL1KDM4ETSPOHDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978642-B2 Mixture, composition and organic electronic device GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2021-04-13 US disclosed
US-20200098992-A1 MIXTURE, COMPOSITION AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2020-03-26 US disclosed
US-20190355911-A1 ORGANIC MIXTURE, ORGANIC COMPOSITION, ORGANIC ELECTRONIC COMPONENT AND PREPARATION METHOD THEREFOR GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-11-21 US disclosed
WO-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed