SCHEMBL7303380

SCHEMBL7303380

COc1ccc(F)cc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OC[C@@H]1COC(C)(C)O1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.55
EDNRB P24530 4/20 0.52

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
SCHEMBL9423429 1.00 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7302710 1.00 EDNRA (0.55) EDNRAEDNRB
SCHEMBL9423670 0.82 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7295217 0.82 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7297028 0.81 EDNRA (0.82) EDNRAEDNRB
SCHEMBL9423628 0.78 EDNRA (0.65) EDNRAEDNRB
SCHEMBL9423624 0.78 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7299432 0.78 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7304412 0.77 EDNRA (0.60) EDNRAEDNRB
SCHEMBL9423841 0.77 EDNRA (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

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