SCHEMBL7598517

SCHEMBL7598517

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(C(=O)N3CCOCC3)nc2OCCO)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.67
EDNRB P24530 3/20 0.67

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
SCHEMBL7586114 0.87 EDNRA (0.75) EDNRAEDNRB
SCHEMBL7946111 0.86 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7584814 0.83 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7598423 0.83 EDNRA (0.78) EDNRAEDNRB
SCHEMBL8321294 0.81 EDNRB (0.71) EDNRAEDNRB
SCHEMBL7567452 0.81 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7593718 0.81 EDNRA (0.73) EDNRAEDNRB
SCHEMBL2678965 0.81 EDNRA (1.00) EDNRAEDNRB
SCHEMBL30057758 0.81 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7297093 0.81 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
US-5856484-A Sulfonylaminopyrimidine carboxylic acid derivatives having endothelin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US claimed
EP-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 EP disclosed
US-5856484-A Sulfonylaminopyrimidine carboxylic acid derivatives having endothelin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
EP-0768304-A1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1997-04-16 EP disclosed