SCHEMBL7911279

SCHEMBL7911279

COc1ccc(S(N)(=O)=O)cc1C(O)C(C)N

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA1A P35348 1/20 0.61
MEN1 O00255 1/20 0.60
MAPK1 P28482 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
GAA P10253 2/20 0.46
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.44
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.43
CA4 P22748 1/20 0.41

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
SCHEMBL7139259 0.86 GAA (0.49) CYP2D6ADRA2AADRA1AMAPK1GAA
SCHEMBL9092422 0.83 TSHR (0.58) MAPK1GAAPTGS1PTGS2CA2
SCHEMBL7903986 0.81 ADRA1A (0.60) ADRA2AADRA1ABLMGAAPTGS1
SCHEMBL7913936 0.78 GAA (0.48) ADRA2AADRA1AGAAPTGS1PTGS2
SCHEMBL7903977 0.77 ADRA1A (0.56) ADRA2AADRA1ABLMGAAPTGS1
Methoxamine SCHEMBL4258097 0.76 ADRA1A (1.00) CYP2D6ADRA2AADRA1AMEN1MAPK1
Methoxamine SCHEMBL4258100 0.76 ADRA1A (1.00) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL5051458 0.76 ADRA2A (0.71) CYP2D6ADRA2AADRA1AMEN1MAPK1
Methoxamine SCHEMBL7786034 0.76 ADRA1A (1.00) CYP2D6ADRA2AADRA1AMEN1MAPK1
Methoxamine SCHEMBL146222 0.76 ADRA1A (1.00) CYP2D6ADRA2AADRA1AMEN1MAPK1

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-0842148-B1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF SANOFI SYNTHELABO (FR) 2000-12-20 EP claimed
US-6214882-B1 Benzenesulphonamide derivatives, preparation thereof and therapeutical uses thereof SYNTHELABO (FR) 2001-04-10 US disclosed
EP-0842148-B1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF SANOFI SYNTHELABO (FR) 2000-12-20 EP disclosed