SCHEMBL7363876

SCHEMBL7363876

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

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.75
EDNRA P25101 12/20 0.65
CCR4 P51679 7/20 0.52

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
SCHEMBL795587 0.93 ABCB11 (0.78) ABCB11EDNRACCR4
SCHEMBL7395016 0.90 ABCB11 (0.72) ABCB11EDNRACCR4
SCHEMBL803053 0.90 ABCB11 (0.72) ABCB11EDNRACCR4
SCHEMBL7358242 0.89 ABCB11 (0.81) ABCB11EDNRACCR4
SCHEMBL7361772 0.88 ABCB11 (0.69) ABCB11EDNRACCR4
SCHEMBL7395488 0.88 ABCB11 (0.69) ABCB11EDNRACCR4
SCHEMBL7357895 0.88 ABCB11 (0.79) ABCB11EDNRACCR4
SCHEMBL7939674 0.87 ABCB11 (0.75) ABCB11EDNRACCR4
SCHEMBL7365895 0.87 ABCB11 (0.78) ABCB11EDNRACCR4
SCHEMBL7387054 0.86 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 6 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
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