Sugi Predict

Sugi Predict / Compounds / SCHEMBL7987737

SCHEMBL7987737

SCHEMBL7987737

COC(=O)c1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c1C.COC(=O)c1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c1C

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.78
▸ EDNRB P24530 2/20 0.75

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
SCHEMBL4630590 1.00 EDNRA (0.78) EDNRAEDNRB
SCHEMBL6592410 0.91 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7048831 0.90 EDNRA (0.78) EDNRAEDNRB
SCHEMBL4631899 0.89 EDNRA (0.79) EDNRAEDNRB
SCHEMBL6151079 0.89 EDNRA (0.81) EDNRAEDNRB
SCHEMBL29426333 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4632060 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7049710 0.87 EDNRA (0.82) EDNRAEDNRB
SCHEMBL2842711 0.87 EDNRA (0.82) EDNRAEDNRB
SCHEMBL4630658 0.87 EDNRA (0.76) 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-6331637-B1 N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-18 — — US disclosed