SCHEMBL21868074

SCHEMBL21868074

CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(N3c4ccccc4Sc4ccccc43)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
MAOA P21397 1/20 0.36
PGR P06401 9/20 0.33
NOX1 Q9Y5S8 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
BCHE P06276 2/20 0.30
HPGD P15428 1/20 0.30
KDM1A O60341 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
SCHEMBL21868222 0.92 HDAC6 (0.39) HDAC6MAOANOX1MEN1KMT2A
SCHEMBL24646909 0.90 HDAC6 (0.37) HDAC6MAOAPGR
SCHEMBL21868262 0.89 HDAC6 (0.40) HDAC6MAOANOX1MEN1KMT2A
SCHEMBL21688338 0.88 HDAC6 (0.41) HDAC6MAOANOX1MEN1KMT2A
SCHEMBL15183545 0.88 HDAC6 (0.41) HDAC6MAOANOX1MEN1KMT2A
SCHEMBL24905687 0.88 HDAC6 (0.41) HDAC6MAOANOX1MEN1KMT2A
SCHEMBL3790006 0.86 HDAC6 (0.42) HDAC6MAOANOX1MEN1KMT2A
SCHEMBL14073318 0.83 HDAC6 (0.40) HDAC6MAOANOX1MEN1KMT2A
SCHEMBL10039060 0.83 PDK2 (0.39) HDAC6MAOAPGRNOX1MEN1
SCHEMBL14823501 0.83 HDAC6 (0.44) HDAC6MAOANOX1MEN1KMT2A

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-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20220123218-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG CHEM, LTD. (KR) 2022-04-21 US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed