SCHEMBL5331464

SCHEMBL5331464

O=C1CN(c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4CCCCC4)c3)c(Cl)c2)C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.62
THRA P10827 2/20 0.43
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5328482 0.86 ALDH1A1 (0.52) THRBKMT2AALDH1A1TSHR
SCHEMBL5326045 0.84 THRB (0.44) THRBTHRA
SCHEMBL5330145 0.84 THRB (0.47) THRBTHRA
SCHEMBL5327964 0.83 THRB (0.47) THRBTHRA
SCHEMBL5324972 0.83 THRB (0.66) THRBTHRAALDH1A1L3MBTL1
SCHEMBL5325777 0.82 THRB (0.43) THRBTHRA
SCHEMBL6660358 0.82 THRB (0.61) THRBTHRAKMT2AALDH1A1ALOX15
SCHEMBL5328330 0.82 THRB (0.43) THRBTHRAKMT2AMEN1TSHR
SCHEMBL5332095 0.81 THRB (0.63) THRBTHRAALDH1A1
SCHEMBL5327217 0.79 THRB (0.53) THRBTHRAALDH1A1

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-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed