SCHEMBL7204449

SCHEMBL7204449

CC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)OC(=O)CN)cc2Cl)cc1Br

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.75
THRA P10827 13/20 0.75
RORC P51449 3/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5385245 0.89 THRB (0.82) THRBTHRARORCCA12CA1
SCHEMBL5382651 0.86 THRB (0.78) THRBTHRARORCKDM4EMEN1
SCHEMBL5392866 0.86 THRA (1.00) THRBTHRA
SCHEMBL5396335 0.82 THRB (0.74) THRBTHRARORCCA12CA1
SCHEMBL5390894 0.81 THRB (0.75) THRBTHRARORC
SCHEMBL5387224 0.81 THRB (0.81) THRBTHRARORC
SCHEMBL5388459 0.80 THRB (0.81) THRBTHRARORC
SCHEMBL4524227 0.80 THRB (0.77) THRBTHRARORC
SCHEMBL5387389 0.80 THRA (0.88) THRBTHRA
SCHEMBL4352291 0.80 THRB (0.73) THRBTHRARORCKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 WO disclosed