SCHEMBL7303662

SCHEMBL7303662

COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.55
EDNRB P24530 8/20 0.55
ESR1 P03372 1/20 0.47

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
SCHEMBL7302591 0.90 EDNRA (0.45) EDNRAEDNRBESR1
SCHEMBL7302964 0.89 EDNRA (0.47) EDNRAEDNRBESR1
SCHEMBL6783690 0.88 EDNRA (0.67) EDNRAEDNRB
SCHEMBL31559142 0.86 EDNRA (0.70) EDNRAEDNRB
SCHEMBL31559141 0.86 EDNRA (0.70) EDNRAEDNRB
SCHEMBL627598 0.86 EDNRA (0.70) EDNRAEDNRB
SCHEMBL629196 0.85 EDNRA (0.69) EDNRAEDNRB
Potassium SCHEMBL31559138 0.85 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7299646 0.85 EDNRA (0.58) EDNRAEDNRBESR1
SCHEMBL7296967 0.84 EDNRA (0.57) EDNRAEDNRBESR1

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