SCHEMBL9516016

SCHEMBL9516016

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.58
PTGS2 P35354 4/20 0.49
PTGS1 P23219 2/20 0.48
CASP3 P42574 3/20 0.46
BCL2L1 Q07817 3/20 0.45
MCL1 Q07820 3/20 0.45
EGFR P00533 3/20 0.44

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
SCHEMBL9517241 0.88 P4HTM (0.61) P4HTMPTGS2PTGS1CASP3BCL2L1
SCHEMBL9517110 0.86 P4HTM (0.61) P4HTMPTGS2PTGS1CASP3BCL2L1
SCHEMBL9519091 0.85 P4HTM (0.42) P4HTMBCL2L1MCL1
SCHEMBL9515532 0.84 P4HTM (0.61) P4HTMPTGS2PTGS1CASP3BCL2L1
SCHEMBL9518099 0.83 P4HTM (0.60) P4HTMMCL1
SCHEMBL9515933 0.83 P4HTM (0.55) P4HTMPTGS2PTGS1CASP3BCL2L1
SCHEMBL9515571 0.81 HDAC1 (0.46)
SCHEMBL9518145 0.81 P4HTM (0.61) P4HTMPTGS2PTGS1CASP3BCL2L1
SCHEMBL9517200 0.80 P4HTM (0.70) P4HTMPTGS2PTGS1CASP3BCL2L1
SCHEMBL9519173 0.80 P4HTM (0.58) P4HTMPTGS2BCL2L1MCL1EGFR

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