SCHEMBL9518016

SCHEMBL9518016

O=C(NS(=O)(=O)CCCC(O)c1ccc(F)cc1)c1ccc(CO)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 7/20 0.38
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2J2 P51589 1/20 0.37
P4HTM Q9NXG6 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL9515637 0.95 EPHX2 (0.38) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9515897 0.89 EGFR (0.42) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9515974 0.89 HIF1A (0.39) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9518022 0.88 HDAC6 (0.39) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9515550 0.88 MEN1 (0.36) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9515528 0.86 LMNA (0.38) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9519314 0.85 EGFR (0.37) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9516131 0.85 GABRA5 (0.40) GAAGABRA5
SCHEMBL9519674 0.84 EGFR (0.43) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL9516279 0.83 HIF1A (0.39) HDAC6HDAC3HDAC1HDAC2P4HTM

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