SCHEMBL1387150

SCHEMBL1387150

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

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.77
CCR4 P51679 8/20 0.65
ABCB11 O95342 1/20 0.56

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
SCHEMBL1387397 0.93 EDNRA (0.67) EDNRACCR4ABCB11
SCHEMBL1387249 0.92 EDNRA (0.66) EDNRACCR4ABCB11
SCHEMBL1387336 0.91 CCR4 (0.66) EDNRACCR4ABCB11
SCHEMBL8055319 0.88 EDNRA (0.61) EDNRACCR4ABCB11
SCHEMBL1387415 0.87 EDNRA (1.00) EDNRACCR4
SCHEMBL1387247 0.87 EDNRA (0.76) EDNRACCR4
SCHEMBL7946070 0.87 EDNRA (0.60) EDNRACCR4ABCB11
SCHEMBL1387310 0.86 EDNRA (0.81) EDNRACCR4ABCB11
SCHEMBL7949490 0.85 EDNRA (0.58) EDNRACCR4ABCB11
SCHEMBL7939786 0.85 EDNRA (0.58) EDNRACCR4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749964-B1 N-Heterocyclyl biphenyl sulfonamides ASTRAZENECA AB (SE) 2001-10-04 EP claimed
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
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP claimed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO claimed
EP-0749964-B1 N-Heterocyclyl biphenyl sulfonamides ASTRAZENECA AB (SE) 2001-10-04 EP disclosed
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-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO disclosed