SCHEMBL4057566

SCHEMBL4057566

COc1cnc(OCCOc2nc(-c3ncccn3)nc(NS(=O)(=O)CCc3ccccc3)c2Oc2ccccc2OC)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 1.00
EDNRB P24530 18/20 1.00

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
SCHEMBL4070379 0.94 EDNRA (1.00) EDNRAEDNRB
SCHEMBL14289235 0.91 EDNRB (0.86) EDNRAEDNRB
SCHEMBL14289225 0.90 EDNRB (0.85) EDNRAEDNRB
SCHEMBL795169 0.90 EDNRA (0.88) EDNRAEDNRB
SCHEMBL6654039 0.87 EDNRA (0.83) EDNRAEDNRB
SCHEMBL14289233 0.84 EDNRB (1.00) EDNRAEDNRB
SCHEMBL5493621 0.82 EDNRB (1.00) EDNRAEDNRB
SCHEMBL14289234 0.82 EDNRB (0.84) EDNRAEDNRB
SCHEMBL14289224 0.81 EDNRB (0.82) EDNRAEDNRB
SCHEMBL4069236 0.79 EDNRA (0.78) 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
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP claimed