SCHEMBL5328330

SCHEMBL5328330

CCN(CC)S(=O)(=O)c1cc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.43
THRA P10827 2/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5326045 0.89 THRB (0.44) THRBTHRA
SCHEMBL5327154 0.88 TSHR (0.43) RAB9AKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL5325777 0.88 THRB (0.43) THRBTHRA
SCHEMBL5330145 0.83 THRB (0.47) THRBTHRA
SCHEMBL5329530 0.83 THRB (0.43) THRBTHRA
SCHEMBL5327964 0.83 THRB (0.47) THRBTHRA
SCHEMBL5331464 0.82 THRB (0.62) THRBTHRAKMT2AMEN1TSHR
SCHEMBL5327217 0.79 THRB (0.53) THRBTHRA
SCHEMBL5326809 0.79 THRB (0.46) THRBTHRA
SCHEMBL5324972 0.77 THRB (0.66) 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 2 patents. 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 claimed
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed