SCHEMBL7358563

SCHEMBL7358563

COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)C(=O)O)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.82
EDNRA P25101 15/20 0.61
CCR4 P51679 4/20 0.49

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
SCHEMBL7366024 0.90 ABCB11 (1.00) ABCB11EDNRACCR4
SCHEMBL7360038 0.89 ABCB11 (0.83) ABCB11EDNRACCR4
SCHEMBL795555 0.88 EDNRA (0.66) ABCB11EDNRACCR4
SCHEMBL7365882 0.88 ABCB11 (0.76) ABCB11EDNRACCR4
SCHEMBL7360509 0.87 ABCB11 (0.77) ABCB11EDNRACCR4
SCHEMBL7358242 0.85 ABCB11 (0.81) ABCB11EDNRACCR4
SCHEMBL7396797 0.85 ABCB11 (0.75) ABCB11EDNRACCR4
SCHEMBL7361198 0.85 ABCB11 (0.69) ABCB11EDNRACCR4
SCHEMBL803053 0.85 ABCB11 (0.72) ABCB11EDNRACCR4
SCHEMBL7391498 0.85 ABCB11 (0.72) ABCB11EDNRACCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6060475-A Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof ZENECA LIMITED (GB) 2000-05-09 US disclosed
US-5866568-A ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO disclosed