SCHEMBL9517093

SCHEMBL9517093

O=C(NS(=O)(=O)CC(O)c1ccc(F)cc1)c1ccc(COC(=O)c2ccccc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.39
KMT2A Q03164 1/20 0.38
CXCR2 P25025 4/20 0.37
CXCR1 P25024 2/20 0.37
EPHX2 P34913 6/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2J2 P51589 1/20 0.36
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 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
SCHEMBL9515611 0.88 EPHX2 (0.39) P4HTMCXCR2CXCR1EPHX2CYP2C9
SCHEMBL9517911 0.83 CXCR1 (0.37) P4HTMKMT2ACXCR2CXCR1EPHX2
SCHEMBL9518022 0.83 HDAC6 (0.39) P4HTMKMT2ACXCR2CXCR1EPHX2
SCHEMBL9517088 0.82 CXCR2 (0.38) P4HTMKMT2ACXCR2CXCR1EPHX2
SCHEMBL9519649 0.79 GRM5 (0.38) P4HTMCXCR2CXCR1
SCHEMBL9517233 0.79 POLB (0.38) P4HTMADRB2ADRB1ADRB3MAPT
SCHEMBL9517265 0.79 EGFR (0.41) P4HTM
SCHEMBL9517230 0.78 HSD11B1 (0.39) P4HTMEPHX2GAA
SCHEMBL9515738 0.77 P4HTM (0.43) P4HTMKMT2ACXCR2BCL2L1MCL1
SCHEMBL9517975 0.77 P4HTM (0.53) P4HTMKMT2AGAA

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