SCHEMBL9515550

SCHEMBL9515550

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
EPHX2 P34913 2/20 0.35
P4HTM Q9NXG6 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
GRM5 P41594 1/20 0.34
GABRA5 P31644 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
SCHEMBL9516716 0.95 EPHX2 (0.36) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9517030 0.89 SLC6A9 (0.39) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9518016 0.88 MEN1 (0.38) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9515431 0.88 PNMT (0.41) HDAC6HDAC5CES2HDAC3HDAC1
SCHEMBL9515528 0.84 LMNA (0.38) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9519314 0.84 EGFR (0.37) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9519439 0.83 PNMT (0.42) HDAC6HDAC5CES2HDAC3HDAC1
SCHEMBL9515637 0.83 EPHX2 (0.38) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9515897 0.82 EGFR (0.42) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9515974 0.81 HIF1A (0.39) MEN1NPC1RAB9AKMT2AL3MBTL1

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