SCHEMBL9516101

SCHEMBL9516101

O=C(NCc1ccccc1)c1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.56
P4HTM Q9NXG6 3/20 0.54
CA2 P00918 1/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HPGDS O60760 3/20 0.52
ALDH1A1 P00352 2/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NAMPT P43490 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 1/20 0.48
CXCR4 P61073 1/20 0.48

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
SCHEMBL9519516 0.89 HTT (0.60) P4HTMLMNAL3MBTL1HPGDSALDH1A1
SCHEMBL9517800 0.87 NPC1 (0.52) P4HTMHDAC2HDAC8HDAC6NAMPT
SCHEMBL9517200 0.87 P4HTM (0.70) P4HTMLMNAL3MBTL1
SCHEMBL9517097 0.86 HSP90AA1 (0.51) P4HTMHDAC2HDAC8HDAC6NAMPT
SCHEMBL9515715 0.86 MEN1 (0.54) P4HTMCA2LMNAHDAC2HDAC8
SCHEMBL9519274 0.86 SCN3A (0.51) SCN3AP4HTMCA2LMNAL3MBTL1
SCHEMBL9137831 0.85 P4HTM (0.73) SCN3AP4HTMCA2LMNAL3MBTL1
SCHEMBL9516083 0.85 P4HTM (0.60) P4HTMLMNAL3MBTL1
SCHEMBL9519106 0.84 EGFR (0.50) P4HTM
SCHEMBL9517987 0.83 P4HTM (0.55) P4HTMCA2LMNAL3MBTL1ALDH1A1

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
CN-1079466-A 4-or 5-(sulphur) acylimino-and (inferior sulphur) amidopyridine and pyridine-N-oxide thereof HOECHST AG (DE) 1993-12-15 CN disclosed
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