SCHEMBL7570796

SCHEMBL7570796

COC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cn2)c(Oc2ccccc2OC)c(OCCOC2CCCCO2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.55
EDNRB P24530 19/20 0.55

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
SCHEMBL7566574 0.89 EDNRA (0.44) EDNRAEDNRB
SCHEMBL7569655 0.84 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7565796 0.84 EDNRA (0.47) EDNRAEDNRB
SCHEMBL7568975 0.84 EDNRA (0.47) EDNRAEDNRB
SCHEMBL7568989 0.83 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7568663 0.82 EDNRB (0.48) EDNRAEDNRB
SCHEMBL7570847 0.81 ALDH1A1 (0.43) EDNRA
SCHEMBL8441594 0.79 EDNRA (0.47) EDNRAEDNRB
SCHEMBL7567461 0.78 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7565835 0.78 PDE4B (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US disclosed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed