SCHEMBL7303769

SCHEMBL7303769

CC(C)(C)c1ccc(S(=O)(=O)Nc2ncnc(Cl)c2Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.55
EDNRB P24530 1/20 0.55

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
SCHEMBL7294305 0.89 EDNRB (0.71) EDNRAEDNRB
SCHEMBL627598 0.86 EDNRA (0.70) EDNRAEDNRB
SCHEMBL31559142 0.86 EDNRA (0.70) EDNRAEDNRB
SCHEMBL31559141 0.86 EDNRA (0.70) EDNRAEDNRB
Potassium SCHEMBL31559138 0.85 EDNRA (0.69) EDNRAEDNRB
SCHEMBL629196 0.85 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7331882 0.84 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7295564 0.83 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8327749 0.83 EDNRA (0.55) EDNRAEDNRB
Dimethyl Sulfoxide SCHEMBL627619 0.83 EDNRA (0.66) EDNRAEDNRB

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-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed