SCHEMBL9518145

SCHEMBL9518145

O=C(NS(=O)(=O)c1ccccc1)c1ccc(COCc2ccccc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.61
BCL2L1 Q07817 8/20 0.52
MCL1 Q07820 8/20 0.52
PTGS2 P35354 3/20 0.51
PTGS1 P23219 1/20 0.50
EGFR P00533 3/20 0.46
CASP3 P42574 1/20 0.45

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
SCHEMBL9515759 0.90 P4HTM (0.58) P4HTMBCL2L1MCL1EGFR
SCHEMBL9515532 0.88 P4HTM (0.61) P4HTMBCL2L1MCL1PTGS2PTGS1
SCHEMBL9516970 0.88 BCL2L1 (0.48) P4HTMBCL2L1MCL1EGFR
SCHEMBL9517172 0.87 BCL2L1 (0.50) P4HTMBCL2L1MCL1
SCHEMBL9517291 0.86 BCL2L1 (0.47) P4HTMBCL2L1MCL1
SCHEMBL9517308 0.86 ALDH1A1 (0.50) P4HTMBCL2L1MCL1
SCHEMBL9517110 0.83 P4HTM (0.61) P4HTMBCL2L1MCL1PTGS2PTGS1
SCHEMBL9517241 0.83 P4HTM (0.61) P4HTMBCL2L1MCL1PTGS2PTGS1
SCHEMBL9519602 0.82 ALKBH2 (0.53) P4HTMBCL2L1MCL1PTGS2PTGS1
SCHEMBL9517200 0.82 P4HTM (0.70) P4HTMBCL2L1MCL1PTGS2PTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1079466-A 4-or 5-(sulphur) acylimino-and (inferior sulphur) amidopyridine and pyridine-N-oxide thereof HOECHST AG (DE) 1993-12-15 CN disclosed
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