SCHEMBL9819059

SCHEMBL9819059

COC(=O)c1occ2cc(S(=O)(=O)N(C)C)c(Cl)c(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 7/20 0.36
TSHR P16473 3/20 0.35
GLA P06280 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KCNJ6 P48051 3/20 0.33
KCNJ5 P48544 3/20 0.33
KCNJ3 P48549 3/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9819010 0.86 GSTO1 (0.35) GSTO1TSHRGLAALDH1A1KCNJ6
SCHEMBL9819221 0.79 TSHR (0.39) GSTO1TSHRGLACYP1A2CYP2C19
SCHEMBL9819045 0.73 ALDH1A1 (0.35) GSTO1TSHRGLACYP1A2CYP2C19
SCHEMBL9819018 0.70 ALDH1A1 (0.38) TSHRCYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9819407 0.67 SMN1; SMN2 (0.34) TSHRCYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9818966 0.64 MCL1 (0.39) GSTO1TSHRGLASMN1; SMN2ALDH1A1
SCHEMBL9436744 0.63 SMN1; SMN2 (0.72) GSTO1TSHRCYP1A2CYP2C19SMN1; SMN2
SCHEMBL20488862 0.63 TSHR (0.57) GSTO1TSHRGLACYP1A2CYP2C19
SCHEMBL573855 0.63 VCAM1 (0.52) TSHRCYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9819118 0.63 ALDH1A1 (0.33) GSTO1TSHRGLASMN1; SMN2ALDH1A1

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 3 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 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