SCHEMBL8656334

SCHEMBL8656334

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCCO)c1

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.92
EDNRB P24530 1/20 0.92

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
SCHEMBL30057758 0.96 EDNRA (1.00) EDNRAEDNRB
SCHEMBL2678965 0.96 EDNRA (1.00) EDNRAEDNRB
SCHEMBL21412548 0.90 EDNRB (0.81) EDNRAEDNRB
SCHEMBL795853 0.90 EDNRB (0.80) EDNRAEDNRB
Hydrochloric Acid SCHEMBL8658877 0.90 EDNRB (0.82) EDNRAEDNRB
SCHEMBL8326190 0.88 EDNRB (0.79) EDNRAEDNRB
Benzamide SCHEMBL7585785 0.88 EDNRA (0.85) EDNRAEDNRB
SCHEMBL8655640 0.86 EDNRB (0.77) EDNRAEDNRB
SCHEMBL7293307 0.86 EDNRA (0.83) EDNRAEDNRB
SCHEMBL8659134 0.86 EDNRB (0.76) 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-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