SCHEMBL9495260

SCHEMBL9495260

Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C)cc3C)ncnc2OCCO)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.68
EDNRB P24530 5/20 0.59

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
SCHEMBL9052684 0.92 EDNRA (0.68) EDNRAEDNRB
SCHEMBL9046585 0.89 EDNRA (0.68) EDNRAEDNRB
SCHEMBL9053721 0.87 EDNRA (0.65) EDNRAEDNRB
SCHEMBL9044009 0.85 EDNRA (0.86) EDNRAEDNRB
SCHEMBL9051888 0.85 EDNRA (0.65) EDNRAEDNRB
SCHEMBL9046777 0.83 EDNRA (0.66) EDNRAEDNRB
SCHEMBL14289223 0.82 EDNRA (0.67) EDNRAEDNRB
SCHEMBL9044364 0.82 EDNRA (0.79) EDNRAEDNRB
SCHEMBL9043342 0.82 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7303684 0.81 EDNRA (0.48) 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
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed