SCHEMBL8655640

SCHEMBL8655640

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2cccnn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.77
EDNRA P25101 1/20 0.77

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
SCHEMBL8662832 0.90 EDNRB (0.74) EDNRBEDNRA
SCHEMBL8656838 0.89 EDNRB (0.76) EDNRBEDNRA
SCHEMBL30057758 0.87 EDNRA (1.00) EDNRBEDNRA
SCHEMBL2678965 0.87 EDNRA (1.00) EDNRBEDNRA
SCHEMBL8656334 0.86 EDNRA (0.92) EDNRBEDNRA
Hydrochloric Acid SCHEMBL8658877 0.86 EDNRB (0.82) EDNRBEDNRA
SCHEMBL8657137 0.86 EDNRB (0.74) EDNRBEDNRA
SCHEMBL8656803 0.86 EDNRB (0.71) EDNRBEDNRA
SCHEMBL21412548 0.86 EDNRB (0.81) EDNRBEDNRA
SCHEMBL795853 0.85 EDNRB (0.80) 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