SCHEMBL9819407

SCHEMBL9819407

COC(=O)c1occ2c(S(=O)(=O)Cl)cc(Cl)c(Cl)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 1/20 0.33
MAPK14 Q16539 2/20 0.33
CTPS1 P17812 1/20 0.33
APP P05067 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPK1 P28482 1/20 0.32
CELA1 Q9UNI1 1/20 0.31
RAF1 P04049 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9819221 0.86 TSHR (0.39) SMN1; SMN2TSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL9819197 0.74 APP (0.40) TSHRALDH1A1KDM4EAPPPOLB
SCHEMBL9819399 0.72 MAPT (0.37) SMN1; SMN2TSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL9818966 0.71 MCL1 (0.39) SMN1; SMN2TSHRALDH1A1L3MBTL1MAPT
SCHEMBL9819224 0.69 SMN1; SMN2 (0.49) SMN1; SMN2TSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL9819018 0.69 ALDH1A1 (0.38) SMN1; SMN2TSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL21798603 0.67 GAA (0.46) SMN1; SMN2TSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL9819059 0.67 GSTO1 (0.36) SMN1; SMN2TSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL20501221 0.63 POLB (0.43) SMN1; SMN2TSHRALDH1A1HPGDMAPT
SCHEMBL20449571 0.63 GAA (0.43) SMN1; SMN2TSHRCYP1A2CYP2C19ALDH1A1

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