SCHEMBL21868266

SCHEMBL21868266

c1csc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.65
▸ KCNH2 Q12809 1/20 0.45
▸ SLC6A11 P48066 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PGR P06401 2/20 0.40
▸ ERN1 O75460 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ADORA1 P30542 1/20 0.37
▸ RPS6KB2 Q9UBS0 1/20 0.37

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
SCHEMBL24647812 0.89 PDK2 (0.58) PDK2KCNH2SLC6A11KDM4EMAPT
SCHEMBL21868055 0.88 PDK2 (0.56) PDK2KCNH2SLC6A11KDM4EMAPT
SCHEMBL24647700 0.88 PDK2 (0.55) PDK2KCNH2SLC6A11KDM4EMAPT
SCHEMBL21868318 0.85 PDK2 (0.52) PDK2KCNH2SLC6A11PGRERN1
SCHEMBL12133734 0.84 PDK2 (0.51) PDK2KDM4EMAPTADORA1RPS6KB2
SCHEMBL12133744 0.84 PDK2 (0.51) PDK2KDM4EMAPTADORA1RPS6KB2
SCHEMBL24293168 0.83 PDK2 (0.51) PDK2KCNH2SLC6A11KDM4EMAPT
SCHEMBL15591038 0.83 PDK2 (0.50) PDK2KCNH2SLC6A11KDM4EMAPT
SCHEMBL15591060 0.83 PDK2 (0.50) PDK2KCNH2SLC6A11KDM4EMAPT
SCHEMBL24647024 0.79 PDK2 (0.49) PDK2KCNH2SLC6A11KDM4EMAPT

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 3 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
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 — — WO disclosed
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