SCHEMBL7972675

SCHEMBL7972675

C#CCOc1nc(-c2ccnc(-c3nnn[nH]3)c2)nc(NS(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.80
EDNRB P24530 17/20 0.80

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
SCHEMBL31656331 0.93 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7962811 0.92 EDNRA (0.80) EDNRAEDNRB
Clazosentan SCHEMBL29581324 0.91 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL29379450 0.91 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL1983603 0.91 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL29581457 0.90 EDNRA (0.78) EDNRAEDNRB
Clazosentan SCHEMBL6974629 0.90 EDNRA (0.78) EDNRAEDNRB
Clazosentan SCHEMBL6974621 0.90 EDNRA (0.78) EDNRAEDNRB
Clazosentan SCHEMBL26662037 0.90 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7974204 0.90 EDNRA (0.66) 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-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO claimed
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed