SCHEMBL5717779

SCHEMBL5717779

Cc1cc(COc2c(Br)cc(CC(=O)OC(=O)CCc3cc(Cl)c(OCc4cc(Cl)cc(NC(C)C)c4F)c(Cl)c3)cc2Br)c(F)c(NC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.36
THRB P10828 12/20 0.36
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.31
NPY1R P25929 1/20 0.30
NPY2R P49146 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
SCHEMBL5717774 0.90 THRB (0.44) THRATHRB
SCHEMBL5717853 0.83 THRA (0.37) THRATHRBMEN1KMT2A
SCHEMBL5717738 0.82 THRA (0.40) THRATHRBMEN1KMT2A
SCHEMBL4926484 0.81 THRA (0.55) THRATHRB
SCHEMBL4926593 0.81 FFAR4 (0.42) THRATHRB
SCHEMBL4929566 0.81 THRA (0.52) THRATHRB
SCHEMBL5717860 0.81 KMT2A (0.33) THRATHRBMEN1KMT2AMAPT
SCHEMBL4932662 0.80 THRA (0.41) THRATHRB
SCHEMBL5717950 0.80 THRA (0.44) THRATHRB
SCHEMBL5717758 0.80 KMT2A (0.35) MEN1KMT2AMAPT

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-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed