SCHEMBL5013835

SCHEMBL5013835

NS(=O)(=O)c1cc(Br)ccc1-c1ccc(Br)cc1S(=O)(=O)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.35
CA1 P00915 6/20 0.35
CA9 Q16790 6/20 0.35
CA5A P35218 4/20 0.35
CA12 O43570 3/20 0.35
HSD11B1 P28845 1/20 0.34
S100A4 P26447 1/20 0.33
WDR5 P61964 2/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
TSHR P16473 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL810955 0.77 MAPT (0.41) CA2CA1CA9CA12S100A4
SCHEMBL5013818 0.75 PTPN1 (0.46) CA2CA1CA9CA5ACA12
SCHEMBL196508 0.75 BCL2 (0.38) CA2CA1CA9CA5ACA12
SCHEMBL811922 0.74 TSHR (0.43) CA2CA1CA9CA12HSD11B1
SCHEMBL197625 0.74 TSHR (0.58) TSHR
SCHEMBL197299 0.72 CA2 (0.40) CA2CA1CA9CA5ACA12
SCHEMBL197436 0.71 TSHR (0.46) CA2CA1CA9CA12TSHR
SCHEMBL197679 0.70 TDP1 (0.42) CA2CA1CA9CA12HSD11B1
SCHEMBL5013838 0.70 CA1 (0.32) CA2CA1CA9CA5ACA12
SCHEMBL197132 0.69 TSHR (0.44) CA2CA1CA9CA5ACA12

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
WO-2008127320-A2 ARYLENE-FLUORINATED-SULFONIMIDE IONOMERS AND MEMBRANES FOR FUEL CELLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-23 WO disclosed