SCHEMBL29134022

SCHEMBL29134022

N#Cc1nn(-c2cc(Cl)c(Cc3nn(-c4ccccc4)c(=O)o3)c(Cl)c2)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 14/20 0.53
▸ THRB P10828 14/20 0.53
▸ BCAT1 P54687 2/20 0.45
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ P2RX7 Q99572 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29134027 0.88 THRA (0.51) THRATHRBBCAT1CYP2C8CYP2C9
SCHEMBL29134025 0.84 THRA (0.57) THRATHRBBCAT1CYP2C8CYP2C9
SCHEMBL29134033 0.83 THRA (0.60) THRATHRBCYP2C8CYP2C9
SCHEMBL29134024 0.83 THRA (0.55) THRATHRBBCAT1CYP2C8CYP2C9
SCHEMBL29134029 0.82 THRA (0.52) THRATHRBBCAT1CYP2C8CYP2C9
SCHEMBL29134007 0.82 THRA (0.56) THRATHRBCYP2C8CYP2C9
SCHEMBL29134013 0.81 THRA (0.58) THRATHRBCYP2C8CYP2C9
SCHEMBL29134008 0.81 THRA (0.54) THRATHRBBCAT1CYP2C8CYP2C9
SCHEMBL29134009 0.80 THRA (0.57) THRATHRBCYP2C8CYP2C9
SCHEMBL29134021 0.80 THRA (0.52) 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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