SCHEMBL3706583

SCHEMBL3706583

O=C(O)CN(C(=O)c1cccs1)c1cc(Br)c(Oc2ccc(O)c(-c3ccccc3)c2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 18/20 0.45
THRA P10827 16/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3806790 0.88 MEN1 (0.45) THRBTHRAMEN1KMT2A
SCHEMBL3705094 0.85 THRB (0.49) THRBTHRAMEN1KMT2A
SCHEMBL3711564 0.84 THRA (0.56) THRBTHRA
SCHEMBL3703818 0.84 THRB (0.47) THRBTHRA
SCHEMBL3708351 0.83 THRA (0.47) THRBTHRA
SCHEMBL3706305 0.83 THRB (0.53) THRBTHRA
SCHEMBL3706100 0.82 THRB (0.45) THRBTHRA
SCHEMBL3710196 0.82 THRB (0.49) THRBTHRA
SCHEMBL3704858 0.82 THRB (0.45) THRBTHRA
SCHEMBL3811467 0.82 THRB (0.50) THRBTHRAMEN1KMT2A

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