SCHEMBL3853416

SCHEMBL3853416

NS(=O)(=O)c1ccc2c(c1)NC=CS2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.39
CA1 P00915 12/20 0.39
CA12 O43570 12/20 0.39
CA9 Q16790 11/20 0.39
MAPT P10636 2/20 0.37
CA14 Q9ULX7 7/20 0.37
CA7 P43166 6/20 0.37
CA4 P22748 6/20 0.37
CA6 P23280 5/20 0.37
CA5A P35218 5/20 0.37
CA5B Q9Y2D0 5/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL31236090 0.74 CA2 (0.50) CA2CA1CA12CA9MAPT
SCHEMBL4758944 0.66 CA1 (0.49) CA2CA1CA12CA9MAPT
SCHEMBL11744639 0.66 NOX1 (0.55) CA2CA1CA12CA9MAPT
SCHEMBL9673758 0.64 CA2 (0.46) CA2
SCHEMBL2591105 0.63 CA2 (0.42) CA2CA1CA12CA9MAPT
SCHEMBL15202208 0.63 CA2 (0.42) CA2CA1CA12CA9MAPT
SCHEMBL31236117 0.63 CA1 (0.36) CA2CA1CA12CA9MAPT
SCHEMBL2710652 0.62 CA2 (0.41) CA2CA1CA12CA9MAPT
SCHEMBL4020727 0.62 CA2 (0.49) CA2CA1CA12CA9MAPT
SCHEMBL30210907 0.62 CA2 (0.62) CA2CA1CA12CA9MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP claimed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP claimed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO claimed
EP-1605938-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO disclosed