SCHEMBL7589388

SCHEMBL7589388

O=S(=O)(Nc1cc(Br)c(Br)cc1NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.54
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
HSD17B2 P37059 1/20 0.51
TP53 P04637 1/20 0.51
EP300 Q09472 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
METAP2 P50579 2/20 0.49
IDO1 P14902 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL5956125 0.85 ALDH1A1 (0.59) CA2CA1GAAMETAP2CA12
SCHEMBL7595505 0.85 KEAP1 (0.59) CCR2CA2CA1MEN1KMT2A
SCHEMBL7587644 0.85 CES1 (0.58) CCR2METAP2
SCHEMBL7590886 0.82 MEN1 (0.61) CA2GAAHSD17B2MEN1KMT2A
SCHEMBL7589405 0.82 MEN1 (0.59) CCR2CA2CA1MMP1MMP2
SCHEMBL7594450 0.80 CA2 (0.58) CA2CA1MMP1MMP2MMP9
SCHEMBL7590717 0.80 KEAP1 (0.62) GAAKMT2A
SCHEMBL7594857 0.80 CA1 (0.54) CA2CA1GAAMEN1KMT2A
SCHEMBL7594976 0.80 UQCRB (0.51) GAAHSD17B2TP53MEN1KMT2A
SCHEMBL7594368 0.79 WDR5 (0.60) HSD17B2MEN1KMT2A

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