SCHEMBL11566263

SCHEMBL11566263

O=S(=O)(c1cc(Br)c(OCCCO)c(Br)c1)c1cc(Br)c(OCCCO)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.41
THRB P10828 7/20 0.41
THRA P10827 6/20 0.41
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CA2 P00918 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11577842 0.95 KLK1 (0.44) KLK1THRBTHRAMCHR1HRH3
SCHEMBL483839 0.91 MCHR1 (0.43) KLK1THRBTHRAMCHR1HRH3
SCHEMBL11022560 0.91 MCHR1 (0.43) KLK1THRBTHRAMCHR1HRH3
SCHEMBL2349299 0.84 KLK1 (0.39) KLK1THRBTHRAHRH3MEN1
SCHEMBL21077306 0.79 THRB (0.34) KLK1THRBTHRAHRH3CA2
SCHEMBL26290173 0.79 KDM4E (0.38) THRBTHRAMEN1KMT2AKDM4E
SCHEMBL2679538 0.77 THRA (0.41) KLK1THRBTHRAHRH3ALDH1A1
SCHEMBL23332926 0.76 THRB (0.51) THRBTHRAMEN1KMT2ACA2
SCHEMBL20183966 0.76 TSHR (0.45) KLK1THRBTHRAMEN1KMT2A
SCHEMBL27574370 0.76 KDM4E (0.50) KLK1THRBTHRAHRH3MEN1

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
US-4178410-A POLYURETHANE AND A SULFONE Meisei Chemical Works, Inc. (JP) 1979-12-11 US disclosed
US-4104259-A Fireproof polyesters from brominated dihydroxy alkoxy-diphenyl sulfones TOYO BOSEKI KABUSHIKI KAISHA (JP) 1978-08-01 US disclosed