SCHEMBL3706492

SCHEMBL3706492

CCN(CC)S(=O)(=O)c1cc(Oc2c(Br)cc(N(CC(=O)O)C(=O)c3ccccc3)cc2Br)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.40
THRA P10827 13/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL3707632 0.89 THRA (0.40) THRBTHRAKMT2A
SCHEMBL3708122 0.84 THRB (0.45) THRBTHRA
SCHEMBL3704624 0.82 THRB (0.48) THRBTHRA
SCHEMBL3704685 0.82 ESRRA (0.44) THRBTHRA
SCHEMBL3707649 0.81 THRB (0.42) THRBTHRA
SCHEMBL3711114 0.81 TSHR (0.44) MEN1KMT2A
SCHEMBL3712191 0.80 THRA (0.51) THRBTHRA
SCHEMBL3708160 0.80 THRA (0.61) THRBTHRA
SCHEMBL3702629 0.79 THRB (0.42) THRBTHRAKMT2A
SCHEMBL3708478 0.79 THRB (0.42) THRBTHRA

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-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed