SCHEMBL4362672

SCHEMBL4362672

O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)C(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.56
CA2 P00918 8/20 0.56
CA9 Q16790 6/20 0.56
HTT P42858 1/20 0.48
CA5A P35218 2/20 0.45
HSPB1 P04792 2/20 0.45
CA12 O43570 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HSD11B1 P28845 1/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL37687 0.83 CA1 (0.62) CA1CA2CA9HTTCA5A
SCHEMBL4369189 0.76 CA2 (0.54) CA1CA2CA9HTTCA5A
SCHEMBL8611079 0.76 HSPB1 (0.50) CA1CA2CA9HTTCA5A
SCHEMBL11704991 0.75 CA1 (0.67) CA1CA2CA9HTTCA5A
SCHEMBL17318171 0.75 CA1 (0.67) CA1CA2CA9HTTCA5A
SCHEMBL866410 0.75 CA1 (0.71) CA1CA2CA9HTTCA5A
Iodobenzene SCHEMBL2903524 0.74 HTT (0.55) CA1CA2CA9HTTCA5A
SCHEMBL4367741 0.73 CA1 (0.56) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL28363779 0.73 CA1 (0.62) CA1CA2CA9HTTCA5A
SCHEMBL3519559 0.72 CA2 (1.00) CA1CA2CA9HTTCA5A

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-2009073427-A1 FLUORINATED ALKANESULFONIC ACID ESTERS AND AMIDES AND PROCESSES FOR MAKING AND USING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-11 WO disclosed
US-20090137831-A1 Fluorinated Alkanesulfonic Acid Esters and Amides and Processes for Making and Using the Same E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-28 US disclosed