SCHEMBL9515686

SCHEMBL9515686

COc1ccc(S(=O)(=O)NC(=O)c2ccc(COC(C)=O)nc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.62
HSD17B10 Q99714 1/20 0.49
GFER P55789 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
EGFR P00533 3/20 0.46
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
SCHEMBL9517241 0.87 P4HTM (0.61) P4HTMEGFR
SCHEMBL9519173 0.87 P4HTM (0.58) P4HTMHSD17B10GFEREGFRTDP1
SCHEMBL9515461 0.87 P4HTM (0.62) P4HTMHSD17B10GFERHDAC3HDAC4
SCHEMBL9517044 0.86 P4HTM (0.47) P4HTMHDAC3HDAC4HDAC1HDAC7
SCHEMBL9518006 0.86 P4HTM (0.67) P4HTMHSD17B10GFERHDAC3HDAC4
SCHEMBL9515759 0.83 P4HTM (0.58) P4HTMEGFRTDP1MMP2HTT
SCHEMBL9519274 0.81 SCN3A (0.51) P4HTMHDAC2HDAC8HDAC6TDP1
SCHEMBL9517108 0.81 KMT2A (0.53) GFERTDP1CA1HTTGAA
SCHEMBL9516999 0.80 P4HTM (0.41) P4HTMEGFRTDP1FLT4GAA
SCHEMBL9515987 0.80 NPC1 (0.49) P4HTMHDAC2HDAC8HDAC6

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