SCHEMBL7577210

SCHEMBL7577210

O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(Br)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
GAA P10253 1/20 0.57
POLB P06746 2/20 0.55
IDO1 P14902 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GFER P55789 2/20 0.53
MAPT P10636 1/20 0.53
WDR5 P61964 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
ITGA1 P56199 1/20 0.50
ING2 Q9H160 1/20 0.50
CYP2C9 P11712 1/20 0.49
ATIC P31939 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7594857 0.83 CA1 (0.54) HTTCA12CA1CA2CA9
SCHEMBL7574036 0.81 PKM (0.68) HTTGAAIDO1MEN1KMT2A
SCHEMBL23109349 0.80 CA1 (0.65) HTTCA1CA2CA9MEN1
SCHEMBL7577405 0.80 PTPRC (0.60) CA12CA1CA2CA9GAA
SCHEMBL15482013 0.78 HDAC8 (0.71) HTTCA12CA1CA2CA9
SCHEMBL9997330 0.78 MCL1 (0.70) CA12CA1CA2CA9GAA
SCHEMBL7932062 0.78 CA12 (0.73) HTTCA12CA1CA2CA9
SCHEMBL3715141 0.77 CA12 (0.75) CA12CA1CA2CA9GAA
SCHEMBL893905 0.77 CA12 (0.73) CA12CA1CA2CA9GAA
SCHEMBL95742 0.76 CA12 (0.71) HTTCA12CA1CA2CA9

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
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed