SCHEMBL1387415

SCHEMBL1387415

COc1nc(Br)cnc1NS(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 1.00
CCR4 P51679 10/20 0.71
CCR5 P51681 1/20 0.58

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
SCHEMBL7948489 0.92 EDNRA (0.85) EDNRACCR4CCR5
SCHEMBL1387374 0.92 EDNRA (0.85) EDNRACCR4CCR5
SCHEMBL1387488 0.88 EDNRA (0.78) EDNRACCR4CCR5
SCHEMBL1387150 0.87 EDNRA (0.77) EDNRACCR4
SCHEMBL1387409 0.87 EDNRA (1.00) EDNRACCR4
SCHEMBL1387247 0.86 EDNRA (0.76) EDNRACCR4
SCHEMBL8391619 0.84 EDNRA (0.72) EDNRACCR4
SCHEMBL1731970 0.83 CCR4 (0.74) EDNRACCR4CCR5
SCHEMBL1731921 0.83 CCR4 (1.00) EDNRACCR4CCR5
SCHEMBL8042519 0.82 EDNRA (1.00) EDNRACCR4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752986-B1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LTD (GB) 1999-05-19 EP claimed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US claimed
JP-H09510987-A 1997-11-04 JP claimed
EP-0752986-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1997-01-15 EP claimed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6083951-A FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 2000-07-04 US disclosed
EP-0752986-B1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LTD (GB) 1999-05-19 EP disclosed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US disclosed
EP-0752986-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1997-01-15 EP disclosed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO disclosed