SCHEMBL9515528

SCHEMBL9515528

O=C(NS(=O)(=O)CCCC(O)c1ccc(F)cc1F)c1ccc(CO)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KLKB1 P03952 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
P4HTM Q9NXG6 2/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
GABRA5 P31644 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
SCN9A Q15858 1/20 0.32
PTGER2 P43116 1/20 0.32

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
SCHEMBL9517189 0.95 LMNA (0.39) LMNAPOLBHDAC6NPC1RAB9A
SCHEMBL9515843 0.89 LMNA (0.40) LMNAPOLBHDAC6NPC1RAB9A
SCHEMBL9518016 0.86 MEN1 (0.38) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL9515550 0.84 MEN1 (0.36) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL9515637 0.81 EPHX2 (0.38) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL9519314 0.80 EGFR (0.37) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL9515444 0.80 P4HTM (0.41) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL9516716 0.79 EPHX2 (0.36) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL9515835 0.78 LMNA (0.39) LMNAPOLBHDAC6NPC1RAB9A
SCHEMBL9515897 0.78 EGFR (0.42) HDAC6NPC1RAB9AMEN1KMT2A

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