SCHEMBL7996803

SCHEMBL7996803

COc1ccccc1Oc1c(OCC2CCCO2)nc(-c2ccncc2)nc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.48
EDNRB P24530 6/20 0.48
IRAK4 Q9NWZ3 2/20 0.46
DHPS P49366 6/20 0.46
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL7997001 0.90 EDNRA (0.51) EDNRAEDNRBIRAK4
SCHEMBL7996807 0.89 DHPS (0.53) EDNRAEDNRBDHPS
SCHEMBL7993551 0.89 EDNRA (0.49) EDNRAEDNRBIRAK4DHPSPOLB
SCHEMBL7997029 0.88 EDNRA (0.49) EDNRAEDNRBIRAK4DHPSMAPT
SCHEMBL7990484 0.86 DHPS (0.44) EDNRAEDNRBIRAK4DHPS
SCHEMBL7993866 0.84 EDNRB (0.55) EDNRAEDNRBIRAK4DHPSMAPT
SCHEMBL7997031 0.83 EDNRB (0.59) EDNRAEDNRBIRAK4DHPSPOLB
SCHEMBL7993509 0.82 DHPS (0.49) EDNRAEDNRBDHPS
SCHEMBL4066782 0.82 DHPS (0.66) EDNRAEDNRBDHPS
SCHEMBL7993822 0.81 IRAK4 (0.54) IRAK4

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