SCHEMBL7303573

SCHEMBL7303573

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOC(=O)c2cc3ccccc3[nH]2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.68
EDNRA P25101 1/20 0.68

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
SCHEMBL8319563 0.83 EDNRB (0.74) EDNRBEDNRA
SCHEMBL8322189 0.82 EDNRB (0.68) EDNRBEDNRA
SCHEMBL30057758 0.82 EDNRA (1.00) EDNRBEDNRA
SCHEMBL2678965 0.82 EDNRA (1.00) EDNRBEDNRA
SCHEMBL7306824 0.82 EDNRB (0.70) EDNRBEDNRA
SCHEMBL8326190 0.81 EDNRB (0.79) EDNRBEDNRA
SCHEMBL8326202 0.81 EDNRB (0.74) EDNRBEDNRA
SCHEMBL8326954 0.81 EDNRB (0.74) EDNRBEDNRA
SCHEMBL8656334 0.81 EDNRA (0.92) EDNRBEDNRA
SCHEMBL8322046 0.81 EDNRB (0.71) EDNRBEDNRA

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 claimed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US claimed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed