SCHEMBL8055588

SCHEMBL8055588

COc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(NC(=O)OCc3ccccc3)cccc12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.68
CCR4 P51679 4/20 0.54

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
SCHEMBL8058067 0.85 EDNRA (0.79) EDNRACCR4
SCHEMBL8055624 0.84 EDNRA (0.68) EDNRACCR4
SCHEMBL1387322 0.80 EDNRA (1.00) EDNRACCR4
SCHEMBL8042519 0.78 EDNRA (1.00) EDNRACCR4
SCHEMBL1387437 0.78 EDNRA (0.81) EDNRACCR4
SCHEMBL8055603 0.78 EDNRA (0.67) EDNRACCR4
SCHEMBL8058031 0.78 EDNRA (0.79) EDNRACCR4
SCHEMBL8395496 0.77 EDNRA (0.98) EDNRACCR4
SCHEMBL8395498 0.77 EDNRA (0.98) EDNRACCR4
SCHEMBL6038923 0.77 EDNRA (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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