SCHEMBL9819010

SCHEMBL9819010

CN(C)S(=O)(=O)c1cc2coc(C(=O)O)c2c(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 8/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNJ6 P48051 3/20 0.32
KCNJ5 P48544 3/20 0.32
KCNJ3 P48549 3/20 0.32
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL9819059 0.86 GSTO1 (0.36) GSTO1ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL9818966 0.77 MCL1 (0.39) GSTO1MCL1ALDH1A1MEN1KMT2A
SCHEMBL9818956 0.71 PIM1 (0.39) GSTO1MCL1ALDH1A1MEN1KMT2A
SCHEMBL9819118 0.66 ALDH1A1 (0.33) GSTO1MCL1ALDH1A1MEN1KMT2A
SCHEMBL9819224 0.65 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2ATSHR
SCHEMBL9819221 0.64 TSHR (0.39) GSTO1ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL9577076 0.64 ALDH1A1 (0.52) GSTO1ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL9819045 0.63 ALDH1A1 (0.35) GSTO1ALDH1A1MEN1KMT2AKCNJ6
SCHEMBL11167601 0.61 CA12 (0.62) GSTO1MCL1ALDH1A1MEN1KMT2A
SCHEMBL9512820 0.60 ALDH1A1 (0.37) GSTO1MCL1ALDH1A1MEN1KMT2A

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-0312338-B1 SULFAMOYL-2-BENZOFURANCARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-12-27 EP claimed
US-4918206-A DIURETICS, HYPOTENSIVE AGENTS; SIDE EFFECT REDUCTION SHIONOGI & CO., LTD. (JP) 1990-04-17 US claimed
EP-0312338-B1 SULFAMOYL-2-BENZOFURANCARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-12-27 EP disclosed
US-4918206-A DIURETICS, HYPOTENSIVE AGENTS; SIDE EFFECT REDUCTION SHIONOGI & CO., LTD. (JP) 1990-04-17 US disclosed
EP-0312338-A1 Sulfamoyl-2-benzofurancarboxylic acid derivatives, their preparation and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-04-19 EP disclosed