SCHEMBL9018205

SCHEMBL9018205

COc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC3CCCC3)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.56
HSD17B10 Q99714 1/20 0.44
EGFR P00533 2/20 0.42
GFER P55789 1/20 0.41
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL9018498 0.99 P4HTM (0.55) P4HTMHSD17B10EGFRGFERFLT1
SCHEMBL9018159 0.90 KMT2A (0.49) P4HTMKMT2AMEN1LMNA
SCHEMBL9018303 0.88 MCL1 (0.51) P4HTMCXCR1CXCR2MMP1MMP2
SCHEMBL9017985 0.86 P4HTM (0.66) P4HTMHSD17B10EGFRGFERFLT1
SCHEMBL9018502 0.86 GABRA5 (0.43) P4HTMEGFRKMT2ACXCR1CXCR2
SCHEMBL9018501 0.86 CXCR1 (0.42) P4HTMEGFRCXCR1CXCR2LMNA
SCHEMBL9018273 0.85 LMNA (0.51) GFERKMT2ALMNAHTT
SCHEMBL9018442 0.85 LMNA (0.51) GFERKMT2ALMNAHTT
SCHEMBL9018483 0.85 GABRA5 (0.43) P4HTMEGFRKMT2ACXCR1CXCR2
SCHEMBL9144067 0.84 P4HTM (0.67) P4HTMHSD17B10EGFRGFERFLT1

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
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed