SCHEMBL6667051

SCHEMBL6667051

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TTR P02766 2/20 0.46
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 3/20 0.41
MEN1 O00255 1/20 0.41
ALB P02768 1/20 0.41
KMT2A Q03164 1/20 0.41
CA3 P07451 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA4 P22748 2/20 0.40

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
SCHEMBL312181 1.00 CYP3A4 (0.50) CYP3A4TSHRTDP1TTRCA1
SCHEMBL23047144 0.84 BRD4 (0.37) CYP3A4TSHRTDP1TTRCA1
SCHEMBL11370148 0.82 TSHR (0.57) TSHRTDP1TTRCA1CA2
SCHEMBL9580693 0.82 CA2 (0.62) CYP3A4TSHRTDP1TTRCA1
SCHEMBL1041550 0.82 ING2 (0.52) CYP3A4TSHRTDP1TTRCA1
SCHEMBL1005171 0.80 ING2 (0.50) CYP3A4TSHRTDP1TTRCA1
SCHEMBL16650007 0.80 CYP3A4 (0.46) CYP3A4TSHRTDP1TTRCA1
SCHEMBL9731791 0.80 GAA (0.46) TDP1CA1CA2CA9ALDH1A1
SCHEMBL1005172 0.78 DUSP5 (0.55) CYP3A4TSHRTDP1TTRCA1
SCHEMBL10498100 0.77 CA12 (0.56) TDP1CA1CA2CA9MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140515-B1 HEAT SENSITIVE RECORDING MATERIAL CIBA SC HOLDING AG (CH) 2004-09-15 EP claimed
EP-0410721-B1 Heat-sensitive recording material JUJO PAPER CO LTD (JP) 1995-10-04 EP claimed
EP-0211140-B1 PROCESS FOR PREPARING BIS-(4-HYDROXY-3,5-DIBROMO-PHENYL)-SULFONE DERIVATIVES MARUBISHI YUKA KOGYO KABUSHIKI KAISHA (JP) 1989-11-08 EP claimed
EP-0739879-B1 Halogen-containing cyanate ester, process for producing the same and thermosetting resin composition containing the same SUMITOMO CHEMICAL CO (JP) 1999-12-22 EP disclosed
EP-0739879-A1 Halogen-containing cyanate ester, process for producing the same and thermosetting resin composition containing the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-30 EP disclosed
EP-0318649-B1 Positive-working radiation-sensitive composistion and radiation-sensitive recording material produced therefrom for high-energy radiation HOECHST AG (DE) 1996-01-03 EP disclosed