SCHEMBL7700723

SCHEMBL7700723

Cc1noc(C(=O)NS(=O)(=O)c2ccsc2C(=O)OC2CCCCC2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.55
EDNRB P24530 7/20 0.45

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
SCHEMBL6967372 0.85 EDNRA (0.73) EDNRAEDNRB
SCHEMBL4632039 0.77 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8501423 0.74 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7252302 0.74 EDNRA (0.76) EDNRAEDNRB
SCHEMBL5208967 0.71 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6789530 0.70 STS (0.49)
SCHEMBL7964834 0.69 EDNRA (0.69) EDNRAEDNRB
SCHEMBL6383356 0.65 SLC6A3 (0.43)
SCHEMBL27527148 0.65 EDNRA (0.69) EDNRAEDNRB
SCHEMBL4632053 0.65 EDNRA (0.89) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US disclosed