SCHEMBL9518022

SCHEMBL9518022

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
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
P4HTM Q9NXG6 5/20 0.37
EPHX2 P34913 4/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2J2 P51589 1/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
PTGER2 P43116 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
SCHEMBL9515637 0.89 EPHX2 (0.38) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9516977 0.89 EGFR (0.44) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9518016 0.88 MEN1 (0.38) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9515773 0.88 HSD11B1 (0.43) HDAC6HDAC3HDAC1HDAC2P4HTM
SCHEMBL9517030 0.87 SLC6A9 (0.39) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9515611 0.86 EPHX2 (0.39) HDAC6HDAC3HDAC1HDAC2P4HTM
SCHEMBL9517911 0.85 CXCR1 (0.37) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9515843 0.85 LMNA (0.40) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9515755 0.84 EGFR (0.39) HDAC6HDAC1MEN1NPC1RAB9A
SCHEMBL9516886 0.83 MMP1 (0.40) NPC1RAB9AKMT2A

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