SCHEMBL7805397

SCHEMBL7805397

CSc1nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccc(C)cc2)c(OCCOCc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.54
EDNRB P24530 2/20 0.51

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
SCHEMBL7812128 0.88 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7812420 0.84 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7198831 0.83 EDNRA (0.49) EDNRAEDNRB
SCHEMBL8655641 0.78 EDNRA (0.71) EDNRAEDNRB
SCHEMBL7815181 0.78 EDNRA (0.44) EDNRAEDNRB
SCHEMBL8656735 0.77 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7815226 0.76 EDNRA (0.50) EDNRAEDNRB
SCHEMBL8657467 0.75 EDNRA (0.79) EDNRAEDNRB
SCHEMBL9492466 0.74 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8804693 0.73 EDNRB (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743307-B1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 2001-09-12 EP disclosed
US-5739333-A 4-SULFONAMIDO-6-ARYLOXY OR -AMINOALKYLENEOXY,-AMINO, OR -THIOPYRIMIDINES; ENDOLTHELIN ANTAGONISTS; HYPOTENSIVE AND ULCER AGENTS; ASTHMA; RAYNAUD DISEASE; CARDIOVASCULAR DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0743307-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-11-20 EP disclosed