SCHEMBL9269338

SCHEMBL9269338

CC(C)c1ccc(S(=O)(=O)NC(=O)C(Cc2ccc3ccccc3c2)c2ccc3c(c2)OCO3)cc1.[KH]

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 8/20 0.53
▸ EDNRB P24530 7/20 0.52

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
Potassium SCHEMBL9269343 0.98 EDNRA (0.53) EDNRAEDNRB
SCHEMBL9263398 0.93 EDNRB (0.57) EDNRAEDNRB
Potassium SCHEMBL9263403 0.91 EDNRB (0.57) EDNRAEDNRB
SCHEMBL8906488 0.90 EDNRA (0.57) EDNRAEDNRB
SCHEMBL9267320 0.88 EDNRB (0.54) EDNRAEDNRB
SCHEMBL9264260 0.87 EDNRB (0.50) EDNRAEDNRB
SCHEMBL9272346 0.86 EDNRA (0.60) EDNRAEDNRB
Potassium SCHEMBL9267325 0.86 EDNRB (0.54) EDNRAEDNRB
SCHEMBL9259514 0.85 EDNRB (0.52) EDNRAEDNRB
Potassium SCHEMBL9264262 0.85 EDNRB (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003295-A1 ENDOTHELIN ANTAGONISTS MERCK & CO., INC. (US) 1995-02-02 — — WO claimed
WO-1995003295-A1 ENDOTHELIN ANTAGONISTS MERCK & CO., INC. (US) 1995-02-02 — — WO disclosed
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