SCHEMBL9517314

SCHEMBL9517314

CC(=O)OCc1ccc(C(=O)NS(=O)(=O)C(C=O)c2cc(Cl)cc(Cl)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.36
CASP3 P42574 7/20 0.36
SCN9A Q15858 8/20 0.35
EGFR P00533 1/20 0.34
SCN5A Q14524 4/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL9517259 0.91 EGFR (0.39) P4HTMCASP3SCN9AEGFRSCN5A
SCHEMBL9516990 0.89 P4HTM (0.37) P4HTMCASP3SCN9AEGFRSCN5A
SCHEMBL9515748 0.87 P4HTM (0.39) P4HTMCASP3SCN9AEGFRHDAC6
SCHEMBL9515607 0.85 EPHX2 (0.40) P4HTMCASP3HDAC6EPHX2
SCHEMBL9519643 0.84 GRM5 (0.39) P4HTMCASP3HDAC6
SCHEMBL9519628 0.84 BCL2L1 (0.42) P4HTMCASP3HDAC6
SCHEMBL9517222 0.83 TRPM8 (0.38) P4HTMCASP3SCN9ASCN5AHDAC6
SCHEMBL9517321 0.82 SCN9A (0.37) P4HTMSCN9AEGFRSCN5AHDAC6
SCHEMBL9517963 0.82 TLR4 (0.38)
SCHEMBL9519634 0.82 HDAC1 (0.39) CASP3HDAC6

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
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed