SCHEMBL8662832

SCHEMBL8662832

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccc(Cl)nn2)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.74
EDNRA P25101 1/20 0.74

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
SCHEMBL8655640 0.90 EDNRB (0.77) EDNRBEDNRA
SCHEMBL8657137 0.86 EDNRB (0.74) EDNRBEDNRA
SCHEMBL8656838 0.86 EDNRB (0.76) EDNRBEDNRA
SCHEMBL2678965 0.85 EDNRA (1.00) EDNRBEDNRA
SCHEMBL30057758 0.85 EDNRA (1.00) EDNRBEDNRA
SCHEMBL8656334 0.84 EDNRA (0.92) EDNRBEDNRA
Hydrochloric Acid SCHEMBL8658877 0.84 EDNRB (0.82) EDNRBEDNRA
SCHEMBL21412548 0.84 EDNRB (0.81) EDNRBEDNRA
SCHEMBL795853 0.83 EDNRB (0.80) EDNRBEDNRA
SCHEMBL8659134 0.83 EDNRB (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728706-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-03-17 US disclosed
EP-0658548-B1 Benzenesulfonamide derivative and process for preparing thereof TANABE SEIYAKU CO (JP) 1997-11-19 EP disclosed
US-5589478-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1996-12-31 US disclosed
EP-0658548-A1 Benzenesulfonamide derivative and process for preparing thereof TANABE SEIYAKU CO., LTD. (JP) 1995-06-21 EP disclosed