SCHEMBL7997031

SCHEMBL7997031

COc1ccccc1Oc1c(OCC2CCCO2)nc(-c2ccnc(-c3noc(=S)[nH]3)c2)nc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.59
EDNRA P25101 10/20 0.59
IRAK4 Q9NWZ3 2/20 0.40
PLK1 P53350 1/20 0.37
DHPS P49366 6/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7993866 0.92 EDNRB (0.55) EDNRBEDNRAIRAK4PLK1DHPS
SCHEMBL7997032 0.92 EDNRB (0.59) EDNRBEDNRADHPS
SCHEMBL7993871 0.84 EDNRB (0.56) EDNRBEDNRAIRAK4DHPS
SCHEMBL7993551 0.83 EDNRA (0.49) EDNRBEDNRAIRAK4DHPSPOLB
SCHEMBL7996803 0.83 EDNRA (0.48) EDNRBEDNRAIRAK4DHPSPOLB
SCHEMBL7997029 0.83 EDNRA (0.49) EDNRBEDNRAIRAK4PLK1DHPS
SCHEMBL7979436 0.82 EDNRB (0.43) EDNRBEDNRADHPS
SCHEMBL7997001 0.81 EDNRA (0.51) EDNRBEDNRAIRAK4
SCHEMBL7993994 0.79 EDNRB (0.56) EDNRBEDNRADHPS
SCHEMBL7993553 0.75 DHPS (0.50) EDNRBEDNRAIRAK4DHPSPOLB

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