SCHEMBL7594450

SCHEMBL7594450

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)c(Br)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.58
CA1 P00915 4/20 0.58
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
CA3 P07451 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
CA7 P43166 2/20 0.54
CA13 Q8N1Q1 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
CYTH2 Q99418 1/20 0.54

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
SCHEMBL7577204 0.83 CA2 (0.66) CA2CA1CA12CA9CA3
SCHEMBL7589388 0.80 CCR2 (0.54) CA2CA1CA12CA9MMP1
SCHEMBL25330587 0.79 CA2 (0.49) CA2CA1CA12CA9CRHBP
SCHEMBL29530872 0.79 CA2 (0.49) CA2CA1CA12CA9CRHBP
SCHEMBL12768025 0.78 CRHBP (0.76) CA2CA12CA9CRHBPCRHR2
SCHEMBL5956125 0.77 ALDH1A1 (0.59) CA2CA1CA12CA9CA4
SCHEMBL7587644 0.77 CES1 (0.58) ALDH1A1CYP19A1
SCHEMBL7595505 0.77 KEAP1 (0.59) CA2CA1
SCHEMBL7498033 0.77 CA2 (0.83) CA2CA1CA12CA9CA3
SCHEMBL7589764 0.76 CRHBP (0.58) CRHBPCRHR2LMNAALDH1A1POLB

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