SCHEMBL9515461

SCHEMBL9515461

CCOCc1ccc(C(=O)NS(=O)(=O)c2ccc(OC)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.62
GFER P55789 1/20 0.49
HSD17B10 Q99714 1/20 0.46
EGFR P00533 3/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 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
SCHEMBL9515532 0.87 P4HTM (0.61) P4HTMEGFR
SCHEMBL9515759 0.87 P4HTM (0.58) P4HTMEGFRTDP1MMP2HTT
SCHEMBL9516185 0.87 EGFR (0.57) P4HTMEGFRMMP1FLT1FLT4
SCHEMBL9517186 0.87 BCL2L1 (0.54) P4HTMEGFRMMP1MMP2MMP9
SCHEMBL9515686 0.87 P4HTM (0.62) P4HTMGFERHSD17B10EGFRHDAC3
SCHEMBL9518006 0.86 P4HTM (0.67) P4HTMGFERHSD17B10EGFRHDAC3
SCHEMBL9517235 0.85 BCL2L1 (0.52) P4HTMEGFRFLT1FLT4KDR
SCHEMBL9519132 0.84 ALDH1A1 (0.47) P4HTMHSD17B10EGFRCA1CA2
SCHEMBL9516113 0.83 P4HTM (0.44) P4HTMEGFRSMN1; SMN2
SCHEMBL9516250 0.83 CA2 (0.46) P4HTMEGFRTDP1CA2SMN1; SMN2

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