SCHEMBL7990484

SCHEMBL7990484

COc1ccccc1Oc1c(OCC2CCC(=O)O2)nc(-c2ccncc2)nc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHPS P49366 8/20 0.44
EDNRA P25101 11/20 0.42
EDNRB P24530 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL7990488 0.90 DHPS (0.52) DHPSEDNRA
SCHEMBL7996803 0.86 EDNRA (0.48) DHPSEDNRAEDNRBIRAK4
SCHEMBL7993822 0.83 IRAK4 (0.54) IRAK4
SCHEMBL7993509 0.81 DHPS (0.49) DHPSEDNRAEDNRB
SCHEMBL4066782 0.81 DHPS (0.66) DHPSEDNRAEDNRB
SCHEMBL2640202 0.80 EDNRA (0.52) DHPSEDNRAEDNRB
SCHEMBL7997001 0.78 EDNRA (0.51) EDNRAEDNRBIRAK4
SCHEMBL7979324 0.77 DHPS (0.50) DHPSEDNRAEDNRB
SCHEMBL7993551 0.76 EDNRA (0.49) DHPSEDNRAEDNRBIRAK4
SCHEMBL7996807 0.76 DHPS (0.53) DHPSEDNRAEDNRB

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