SCHEMBL9519638

SCHEMBL9519638

O=C(NS(=O)(=O)CC(O)c1cc(Cl)cc(Cl)c1)c1ccc(COCc2ccccc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 5/20 0.42
MCL1 Q07820 5/20 0.42
P4HTM Q9NXG6 3/20 0.42
HDAC6 Q9UBN7 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMPD1 P17405 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GCK P35557 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
SCHEMBL9515738 0.92 P4HTM (0.43) BCL2L1MCL1P4HTMHDAC6L3MBTL1
SCHEMBL9516994 0.88 SCN9A (0.38) P4HTMHDAC6SMN1; SMN2
SCHEMBL9517321 0.85 SCN9A (0.37) BCL2L1MCL1P4HTMHDAC6ADRB2
SCHEMBL9515755 0.84 EGFR (0.39) P4HTMHDAC6L3MBTL1NPC1RAB9A
SCHEMBL9516093 0.84 HSD11B1 (0.43) BCL2L1MCL1P4HTMHDAC6HDAC1
SCHEMBL9517170 0.83 HDAC1 (0.39) BCL2L1MCL1P4HTMHDAC6HDAC1
SCHEMBL9519628 0.83 BCL2L1 (0.42) BCL2L1MCL1P4HTMHDAC6L3MBTL1
SCHEMBL9517939 0.79 EGFR (0.40) P4HTMNPC1RAB9ASMN1; SMN2
SCHEMBL9515729 0.76 BCL2L1 (0.40) BCL2L1MCL1P4HTMHDAC6L3MBTL1
SCHEMBL9516977 0.76 EGFR (0.44) P4HTMHDAC6L3MBTL1NPC1RAB9A

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