SCHEMBL9517030

SCHEMBL9517030

O=C(NS(=O)(=O)CC(O)c1cccc(F)c1)c1ccc(CO)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
P4HTM Q9NXG6 3/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL9516716 0.90 EPHX2 (0.36) SLC6A9SLC6A5P4HTMHDAC6HDAC4
SCHEMBL9515550 0.89 MEN1 (0.36) SLC6A9SLC6A5P4HTMHDAC6HDAC4
SCHEMBL9519649 0.87 GRM5 (0.38) SLC6A9SLC6A5P4HTMHDAC6GRM5
SCHEMBL9518022 0.87 HDAC6 (0.39) P4HTMHDAC6MEN1NPC1RAB9A
SCHEMBL9517180 0.87 PNMT (0.44) SLC6A9HDAC6HDAC5CES2HDAC3
SCHEMBL9516266 0.86 GRM5 (0.38) SLC6A9SLC6A5P4HTMHDAC6GRM5
SCHEMBL9515843 0.83 LMNA (0.40) P4HTMHDAC6CES2CES1MEN1
SCHEMBL9515755 0.83 EGFR (0.39) P4HTMHDAC6HDAC4MEN1NPC1
SCHEMBL9517233 0.81 POLB (0.38) P4HTMHDAC6RAB9AL3MBTL1GRM5
SCHEMBL9516977 0.81 EGFR (0.44) P4HTMHDAC6MEN1NPC1RAB9A

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