SCHEMBL29134012

SCHEMBL29134012

N#Cc1nn(-c2cc(Cl)c(Cc3nn(C4CCOCC4)c(=O)o3)c(Cl)c2)c(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 16/20 0.51
▸ THRB P10828 16/20 0.51
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PDE9A O76083 2/20 0.32

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
SCHEMBL29134029 0.95 THRA (0.52) THRATHRBCYP2C8CYP2C9
SCHEMBL29134021 0.93 THRA (0.52) THRATHRBCYP2C8CYP2C9
SCHEMBL29134019 0.92 THRA (0.51) THRATHRBCYP2C8CYP2C9
SCHEMBL30586155 0.86 THRA (0.39) THRATHRBCYP2C9PDE9A
SCHEMBL29134018 0.82 THRA (0.44) THRATHRBCYP2C8CYP2C9
SCHEMBL30586152 0.82 THRB (0.46) THRATHRBPDE9A
SCHEMBL29134025 0.81 THRA (0.57) THRATHRBCYP2C8CYP2C9
SCHEMBL29134024 0.79 THRA (0.55) THRATHRBCYP2C8CYP2C9
SCHEMBL29134033 0.79 THRA (0.60) THRATHRBCYP2C8CYP2C9
SCHEMBL29134022 0.79 THRA (0.53) THRATHRBCYP2C8CYP2C9

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
CN-116836158-A Compound serving as thyroid hormone beta receptor agonist and application thereof 凯思凯迪(上海)医药科技有限公司 2023-10-03 — — CN disclosed
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