SCHEMBL31405660

SCHEMBL31405660

Cc1cc(-n2nc(NC(=O)OC(C)(C)C)c(=O)[nH]c2=O)cc(C)c1Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ LCK P06239 5/20 0.37
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL22632451 0.82 THRA (0.64) THRATHRBL3MBTL1KMT2AATM
SCHEMBL23663470 0.79 THRB (0.60) THRATHRBALDH1A1LMNAL3MBTL1
SCHEMBL29632829 0.78 THRB (0.61) THRATHRB
SCHEMBL29527864 0.77 THRB (0.56) THRATHRB
SCHEMBL31405659 0.76 THRA (0.43) THRATHRBCA12CA1CA9
SCHEMBL22632759 0.75 THRA (0.92) THRATHRB
SCHEMBL23663170 0.75 THRB (0.65) THRATHRBLMNAL3MBTL1
SCHEMBL22632721 0.75 THRB (0.60) THRATHRB
SCHEMBL29632804 0.74 THRB (0.63) THRATHRB
SCHEMBL29522950 0.73 THRB (0.48) THRATHRBBRD4

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-2024260309-A1 THR-β RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE METHOD THEREFOR 西威埃医药技术(上海)有限公司 2024-12-26 — — WO disclosed
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