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Sugi Predict / Compounds / SCHEMBL26488774

SCHEMBL26488774

SCHEMBL26488774

c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6c7ccccc7ccc65)c4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ PDE6D O43924 1/20 0.32
▸ PPARG P37231 5/20 0.31
▸ PPARA Q07869 5/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ TNF P01375 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PPARD Q03181 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
SCHEMBL24949747 0.95 MCL1 (0.33) CA12CA1CA2CA9
SCHEMBL24949894 0.92 CA12 (0.35) CA12CA1CA2CA9PDE6D
SCHEMBL26488788 0.92 — —
SCHEMBL26488460 0.92 PDE6D (0.31) PDE6D
SCHEMBL26488464 0.92 PDE6D (0.31) PDE6D
SCHEMBL24948685 0.91 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL26488936 0.91 CA12 (0.37) CA12CA1CA2CA9PDE6D
SCHEMBL26489166 0.90 AKT1 (0.31) CA12CA1CA2CA9
SCHEMBL26488367 0.90 CA12 (0.36) CA12CA1CA2CA9PDE6D
SCHEMBL24949749 0.89 AKT1 (0.30) —

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-2023182836-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-09-28 — — WO disclosed