SCHEMBL7948223

SCHEMBL7948223

Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNc2n[nH]cc2Br)c1C

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.74
EDNRB P24530 18/20 0.74

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
SCHEMBL7453326 0.90 EDNRA (0.71) EDNRAEDNRB
SCHEMBL6638782 0.90 EDNRA (0.88) EDNRAEDNRB
SCHEMBL7948086 0.87 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7406264 0.86 EDNRA (0.82) EDNRAEDNRB
SCHEMBL6638874 0.86 EDNRA (0.84) EDNRAEDNRB
SCHEMBL6639397 0.85 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7407528 0.85 EDNRB (0.77) EDNRAEDNRB
SCHEMBL6640388 0.84 EDNRA (0.81) EDNRAEDNRB
SCHEMBL6957901 0.83 EDNRA (0.79) EDNRAEDNRB
SCHEMBL6637585 0.83 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
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed