SCHEMBL9819045

SCHEMBL9819045

COC(=O)c1cc2cc(S(=O)(=O)N(C)C)c(Cl)c(Cl)c2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.34
GSTO1 P78417 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KCNJ6 P48051 2/20 0.33
KCNJ5 P48544 2/20 0.33
KCNJ3 P48549 2/20 0.33

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
SCHEMBL9818956 0.85 PIM1 (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9819208 0.79 TSHR (0.40) ALDH1A1RAB9ASMN1; SMN2MAPTTSHR
SCHEMBL9819118 0.77 ALDH1A1 (0.33) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9819059 0.73 GSTO1 (0.36) ALDH1A1SMN1; SMN2MAPTTSHRGLA
SCHEMBL9819076 0.72 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MAPTTSHRCYP1A2
SCHEMBL9818989 0.71 MAPT (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL20604792 0.67 MAOB (0.54) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL10867332 0.67 CA1 (0.42) ALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL11530620 0.66 MAPT (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9819399 0.66 MAPT (0.37) ALDH1A1SMN1; SMN2MAPTTSHRHTT

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
JP-1100164-A None JP disclosed
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
JP-H01100164-A SULFAMOYL-2-BENZOFURANCARBOXYLIC ACID DERIVATIVE SHIONOGI & CO LTD 1989-04-18 JP disclosed