SCHEMBL21867486

SCHEMBL21867486

c1ccc(N2c3ccccc3C3(c4ccccc4-c4c(N5c6ccccc6Sc6ccccc65)cccc43)c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
MAOA P21397 1/20 0.33
BCHE P06276 4/20 0.32
ALDH1A1 P00352 4/20 0.32
CES2 O00748 1/20 0.32
GAA P10253 1/20 0.32
CES1 P23141 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PGR P06401 1/20 0.31
ACHE P22303 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
HPGD P15428 1/20 0.30
HSPA1A P0DMV8 1/20 0.30
PABPC1 P11940 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
SCHEMBL24648264 0.89 MAOA (0.38) HDAC6MAOABCHEALDH1A1ACHE
SCHEMBL21867894 0.89 HDAC6 (0.38) HDAC6MAOABCHEALDH1A1CES2
SCHEMBL17816802 0.88 ALDH1A1 (0.36) BCHEALDH1A1CES2GAACES1
SCHEMBL8783713 0.86 ALDH1A1 (0.39) BCHEALDH1A1CES2GAACES1
SCHEMBL23278289 0.85 HDAC6 (0.36) HDAC6MAOA
SCHEMBL24293290 0.84 MAOA (0.38) HDAC6MAOABCHEALDH1A1PGR
SCHEMBL19759960 0.82 KDM4E (0.32) MAOABCHE
SCHEMBL20202047 0.81 HDAC6 (0.40) HDAC6MAOABCHEALDH1A1NPSR1
SCHEMBL19001824 0.80 PDK2 (0.39) BCHE
SCHEMBL17816794 0.80 KDM4E (0.35) ALDH1A1

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