SCHEMBL11526951

SCHEMBL11526951

CCCCCCCCCCCCS(=O)(=O)c1ccc(C(=O)CBr)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.67
THRA P10827 3/20 0.67
KMT2A Q03164 3/20 0.47
GSK3B P49841 2/20 0.46
MCHR1 Q99705 1/20 0.46
HAO1 Q9UJM8 1/20 0.44
HSD17B3 P37058 5/20 0.44
PAX8 Q06710 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL6743613 0.83 THRA (0.63) THRBTHRAKMT2A
SCHEMBL7825230 0.83 THRA (0.63) THRBTHRAKMT2A
SCHEMBL6741405 0.81 THRB (0.62) THRBTHRAKMT2AMCHR1
SCHEMBL27317432 0.81 THRA (0.61) THRBTHRAKMT2A
SCHEMBL31361829 0.80 THRB (0.59) THRBTHRAKMT2AMCHR1PAX8
SCHEMBL7086075 0.79 THRA (0.59) THRBTHRAKMT2A
SCHEMBL3270801 0.78 THRB (0.58) THRBTHRAMCHR1
SCHEMBL15174539 0.78 THRA (0.77) THRBTHRAKMT2AHAO1
SCHEMBL9745362 0.78 THRB (0.50) THRBTHRAMCHR1
SCHEMBL8388153 0.78 THRA (0.77) THRBTHRAKMT2AHAO1

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
US-4174969-A THIOETHER DEVELOPMENT INHIBITOR COMPOUND AGFA-GEVAERT, A.G. (DE) 1979-11-20 US disclosed