SCHEMBL5722600

SCHEMBL5722600

CS(=O)(=O)Nc1cccc(COc2c(Cl)cc(CCC(=O)OC(=O)CNC(=O)c3cc(Br)c(OCc4cccc(NS(C)(=O)=O)c4F)c(Br)c3)cc2Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.37
THRB P10828 8/20 0.37
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RCE1 Q9Y256 1/20 0.34
MAPT P10636 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MEN1 O00255 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL5722595 0.90 THRA (0.45) THRATHRBKDM4EALDH1A1RCE1
SCHEMBL5717921 0.85 THRA (0.34) THRATHRBKMT2APKMKDM4E
SCHEMBL5109270 0.83 HPGD (0.38) THRATHRBKMT2AKDM4EALDH1A1
SCHEMBL5717989 0.80 THRA (0.35) THRATHRBKMT2APKMALDH1A1
SCHEMBL5717883 0.80 THRA (0.38) THRATHRBALDH1A1ESR1NR3C1
SCHEMBL5120105 0.79 THRA (0.59) THRATHRBESR1NR3C1PGR
SCHEMBL5717975 0.77 KMT2A (0.39) KMT2APKMKDM4EALDH1A1MAPT
SCHEMBL5722524 0.77 THRA (0.40) THRATHRBKMT2AALDH1A1MAPT
SCHEMBL5717738 0.77 THRA (0.40) THRATHRBKMT2AMEN1ESR1
SCHEMBL5717853 0.77 THRA (0.37) THRATHRBKMT2APKMMEN1

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-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 WO disclosed