SCHEMBL8042449

SCHEMBL8042449

CN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3Br)cccc12

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.81

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
SCHEMBL8054307 0.91 EDNRA (0.81) EDNRA
SCHEMBL8055637 0.90 EDNRA (0.74) EDNRA
SCHEMBL8060560 0.90 EDNRA (1.00) EDNRA
SCHEMBL8058103 0.89 EDNRA (0.75) EDNRA
SCHEMBL1387349 0.88 EDNRA (1.00) EDNRA
SCHEMBL8055551 0.87 EDNRA (1.00) EDNRA
SCHEMBL8054316 0.87 EDNRA (0.98) EDNRA
SCHEMBL8054320 0.87 EDNRA (0.98) EDNRA
SCHEMBL8042542 0.87 EDNRA (0.75) EDNRA
SCHEMBL8055426 0.85 EDNRA (1.00) EDNRA

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