SCHEMBL1387336

SCHEMBL1387336

COc1nc(C)cnc1NS(=O)(=O)c1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 14/20 0.66
EDNRA P25101 5/20 0.65
ABCB11 O95342 1/20 0.55

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 0.91 EDNRA (0.67) CCR4EDNRAABCB11
SCHEMBL1387150 0.91 EDNRA (0.77) CCR4EDNRAABCB11
SCHEMBL1387249 0.90 EDNRA (0.66) CCR4EDNRAABCB11
SCHEMBL8038435 0.85 ABCB11 (0.74) CCR4EDNRAABCB11
SCHEMBL1387310 0.85 EDNRA (0.81) CCR4EDNRAABCB11
SCHEMBL1731223 0.84 CCR4 (0.82) CCR4EDNRAABCB11
SCHEMBL1387247 0.83 EDNRA (0.76) CCR4EDNRA
SCHEMBL7946070 0.83 EDNRA (0.60) CCR4EDNRAABCB11
SCHEMBL8055319 0.82 EDNRA (0.61) CCR4EDNRAABCB11
SCHEMBL7939786 0.81 EDNRA (0.58) CCR4EDNRAABCB11

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 9 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-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