SCHEMBL7201095

SCHEMBL7201095

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(N2CCOCC2)nc1OCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.83
EDNRA P25101 20/20 0.83

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
SCHEMBL7197942 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7196838 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7200340 0.90 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7196188 0.89 EDNRB (0.79) EDNRBEDNRA
SCHEMBL7852433 0.89 EDNRB (0.82) EDNRBEDNRA
SCHEMBL7200379 0.89 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7196215 0.86 EDNRA (0.75) EDNRBEDNRA
SCHEMBL7976468 0.85 EDNRB (0.83) EDNRBEDNRA
SCHEMBL7993580 0.84 EDNRB (0.73) EDNRBEDNRA
SCHEMBL6780723 0.84 EDNRA (1.00) EDNRBEDNRA

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-6596746-B1 protein tyrosine kinase-associated disorders such as immunologic and oncologic disorders; dasatinib BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US claimed
US-6596719-B1 Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the ACTELIO PHARMACEUTICALS LTD. (CH) 2003-07-22 US disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 WO disclosed