SCHEMBL9828579

SCHEMBL9828579

NS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CCCC(=O)O)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.54
CA1 P00915 2/20 0.54
LOX P28300 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 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
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL9830450 0.92 CA2 (0.65) CA2CA1LOXFFAR1CA12
SCHEMBL9828530 0.85 CA2 (0.50) CA2CA1LOXSMN1; SMN2FAAH
SCHEMBL9830538 0.83 CA2 (0.49) CA2CA1LOXSMN1; SMN2MAOA
SCHEMBL27881095 0.79 HDAC1 (0.67) CA2CA1SMN1; SMN2HDAC3MAPK1
SCHEMBL9829043 0.79 CA2 (0.46) CA2CA1LOXHSD17B10
SCHEMBL9830576 0.78 CA2 (0.46) CA2CA1LOXSMN1; SMN2CA12
SCHEMBL9828357 0.78 CA2 (0.54) CA2CA1LOXSMN1; SMN2LOXL2
SCHEMBL10589348 0.78 CA2 (0.59) CA2CA1LOXMAOALOXL2
SCHEMBL9829847 0.77 CA2 (0.53) CA2CA1LOXSMN1; SMN2CA12
SCHEMBL9827924 0.76 CA2 (0.58) CA2CA1LOXSMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295049-B1 THIOPHENE SULFONAMIDE ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1991-10-09 EP disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4847289-A Thiophene sulfonamide antiglaucoma agents MERCK & CO., INC. (US) 1989-07-11 US disclosed
EP-0295049-A2 Thiophene sulfonamide antiglaucoma agents MERCK & CO. INC. (US) 1988-12-14 EP disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed