SCHEMBL9515637

SCHEMBL9515637

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2J2 P51589 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P4HTM Q9NXG6 2/20 0.36
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
PTGER2 P43116 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
SCHEMBL9518016 0.95 MEN1 (0.38) EPHX2HDAC6HDAC3HDAC1HDAC2
SCHEMBL9519674 0.89 EGFR (0.43) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9518022 0.89 HDAC6 (0.39) EPHX2HDAC6HDAC3HDAC1HDAC2
SCHEMBL9516279 0.89 HIF1A (0.39) HDAC6HDAC3HDAC1HDAC2P4HTM
SCHEMBL9516716 0.88 EPHX2 (0.36) EPHX2HDAC6HDAC3HDAC1HDAC2
SCHEMBL9517189 0.85 LMNA (0.39) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9516950 0.85 EGFR (0.38) EPHX2HDAC6HDAC1MEN1NPC1
SCHEMBL9515897 0.84 EGFR (0.42) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9515974 0.83 HIF1A (0.39) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL9515550 0.83 MEN1 (0.36) EPHX2HDAC6HDAC3HDAC1HDAC2

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