SCHEMBL7361201

SCHEMBL7361201

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

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.67
EDNRA P25101 12/20 0.62
CCR4 P51679 6/20 0.50
FABP1 P07148 1/20 0.44

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
SCHEMBL7398790 0.91 ABCB11 (0.71) ABCB11EDNRACCR4
SCHEMBL7392493 0.89 ABCB11 (0.71) ABCB11EDNRACCR4
SCHEMBL7365882 0.89 ABCB11 (0.76) ABCB11EDNRACCR4
SCHEMBL7363388 0.87 ABCB11 (0.73) ABCB11EDNRACCR4
SCHEMBL7361772 0.86 ABCB11 (0.69) ABCB11EDNRACCR4
SCHEMBL30296218 0.85 ABCB11 (0.75) ABCB11EDNRACCR4
SCHEMBL7359279 0.85 ABCB11 (0.75) ABCB11EDNRACCR4
SCHEMBL7364207 0.85 ABCB11 (0.68) ABCB11EDNRACCR4
SCHEMBL7361198 0.84 ABCB11 (0.69) ABCB11EDNRACCR4
SCHEMBL7362617 0.84 ABCB11 (0.77) 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 4 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
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