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SCHEMBL7947402

SCHEMBL7947402

CC(=O)c1cc(C)cc(C)c1NC(=O)c1sc(C)cc1S(=O)(=O)Nc1onc(C)c1Cl.CC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.89
▸ EDNRB P24530 1/20 0.77

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
SCHEMBL434551 0.94 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4631440 0.94 EDNRA (1.00) EDNRAEDNRB
SCHEMBL5247182 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7343101 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4630737 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL5210621 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL5210083 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4663962 0.87 EDNRA (0.87) EDNRAEDNRB
SCHEMBL4632059 0.86 EDNRA (0.85) EDNRAEDNRB
SCHEMBL2770488 0.86 EDNRA (1.00) 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
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 — — WO claimed