SCHEMBL7997032

SCHEMBL7997032

COc1ccccc1Oc1c(N)nc(-c2ccnc(-c3noc(=S)[nH]3)c2)nc1OCC1CCCO1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.59
EDNRA P25101 7/20 0.59
DHPS P49366 13/20 0.41

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
SCHEMBL7997031 0.92 EDNRB (0.59) EDNRBEDNRADHPS
SCHEMBL7993871 0.91 EDNRB (0.56) EDNRBEDNRADHPS
SCHEMBL7993994 0.87 EDNRB (0.56) EDNRBEDNRADHPS
SCHEMBL7993866 0.84 EDNRB (0.55) EDNRBEDNRADHPS
SCHEMBL7996807 0.82 DHPS (0.53) EDNRBEDNRADHPS
SCHEMBL7997033 0.82 EDNRB (0.49) EDNRBEDNRADHPS
SCHEMBL7993553 0.82 DHPS (0.50) EDNRBEDNRADHPS
SCHEMBL7979438 0.81 DHPS (0.56) EDNRBEDNRADHPS
SCHEMBL7997005 0.79 EDNRA (0.52) EDNRADHPS
SCHEMBL7979436 0.74 EDNRB (0.43) EDNRBEDNRADHPS

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