SCHEMBL8032130

SCHEMBL8032130

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)cc(C)nc1O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.57
EDNRB P24530 19/20 0.53

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
SCHEMBL7573768 0.86 EDNRA (0.61) EDNRAEDNRB
SCHEMBL8043625 0.79 EDNRB (0.76) EDNRAEDNRB
SCHEMBL1037267 0.78 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8443428 0.78 EDNRA (0.57) EDNRAEDNRB
SCHEMBL6785297 0.77 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7569655 0.77 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7567461 0.77 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7569416 0.75 EDNRA (0.59) EDNRAEDNRB
SCHEMBL6783690 0.74 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6789107 0.74 EDNRA (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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