SCHEMBL9516083

SCHEMBL9516083

O=C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(CO)nc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.60
BCL2L1 Q07817 10/20 0.57
MCL1 Q07820 10/20 0.57
EGFR P00533 2/20 0.51
PTGS2 P35354 2/20 0.50
PTGS1 P23219 1/20 0.49
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9517200 0.92 P4HTM (0.70) P4HTMBCL2L1MCL1EGFRPTGS2
SCHEMBL9519730 0.87 MCL1 (0.62) P4HTMBCL2L1MCL1EGFR
SCHEMBL9517987 0.86 P4HTM (0.55) P4HTMPTGS2MEN1LMNAKMT2A
SCHEMBL9517238 0.86 P4HTM (0.55) P4HTMBCL2L1MCL1EGFRPTGS2
SCHEMBL9516101 0.85 SCN3A (0.56) P4HTMLMNAL3MBTL1
SCHEMBL9517993 0.85 PTGS2 (0.59) P4HTMEGFRPTGS2PTGS1KMT2A
SCHEMBL9515762 0.84 P4HTM (0.49) P4HTMMEN1KMT2AL3MBTL1
Ammonia Solution, Strong SCHEMBL27452745 0.83 P4HTM (0.52) P4HTMBCL2L1MCL1EGFRPTGS2
SCHEMBL9515727 0.83 P4HTM (0.51) P4HTMBCL2L1MCL1EGFRMEN1
SCHEMBL9519310 0.82 EGFR (0.51) P4HTMBCL2L1MCL1EGFRPTGS2

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