SCHEMBL9517038

SCHEMBL9517038

CC(=O)OCc1ccc(C(=O)NS(=O)(=O)c2ccccc2-c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.43
AGTR2 P50052 4/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
AGTR1 P30556 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL9519091 0.90 P4HTM (0.42) P4HTMAGTR2BCL2L1MCL1AGTR1
SCHEMBL9515592 0.89 P4HTM (0.45) P4HTMAGTR2BCL2L1MCL1AGTR1
SCHEMBL9516999 0.88 P4HTM (0.41) P4HTMBCL2L1MCL1
SCHEMBL9515484 0.88 P4HTM (0.43) P4HTMAGTR2AGTR1
SCHEMBL9515762 0.86 P4HTM (0.49) P4HTMAGTR2AGTR1HDAC1HDAC6
SCHEMBL9517241 0.85 P4HTM (0.61) P4HTMBCL2L1MCL1
SCHEMBL9519444 0.83 P4HTM (0.62) P4HTMMCL1
SCHEMBL9516986 0.80 FABP4 (0.48) P4HTM
SCHEMBL9142936 0.78 P4HTM (0.55) P4HTM
SCHEMBL9518048 0.78 P4HTM (0.43) P4HTMBCL2L1MCL1

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