SCHEMBL7299646

SCHEMBL7299646

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)ncnc1OC(C)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.58
EDNRB P24530 9/20 0.58
ESR1 P03372 1/20 0.48

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
SCHEMBL7299653 0.87 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7303662 0.85 EDNRA (0.55) EDNRAEDNRBESR1
SCHEMBL6780064 0.78 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7296548 0.78 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7301924 0.77 EDNRA (0.64) EDNRAEDNRB
SCHEMBL9423988 0.77 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7297522 0.76 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7302591 0.76 EDNRA (0.45) EDNRAEDNRBESR1
SCHEMBL7302964 0.75 EDNRA (0.47) EDNRAEDNRBESR1
SCHEMBL15257227 0.75 EDNRA (0.77) 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 4 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 claimed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP claimed
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