SCHEMBL7993453

SCHEMBL7993453

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(-c3ccncc3)nc2OCC2CCCO2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.55
EDNRB P24530 3/20 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
SCHEMBL7993702 0.89 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7996822 0.84 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7996794 0.81 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7994062 0.81 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7993837 0.80 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7990440 0.79 EDNRB (0.55) EDNRAEDNRB
SCHEMBL7990436 0.79 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7979121 0.77 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7297093 0.76 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7994045 0.76 EDNRA (0.73) 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
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed