SCHEMBL7990488

SCHEMBL7990488

COc1ccccc1Oc1c(N)nc(-c2ccncc2)nc1OCC1CCC(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHPS P49366 16/20 0.52
EDNRA P25101 4/20 0.44

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
SCHEMBL7990484 0.90 DHPS (0.44) DHPSEDNRA
SCHEMBL7996807 0.84 DHPS (0.53) DHPSEDNRA
SCHEMBL7993827 0.82 DHPS (0.52) DHPSEDNRA
SCHEMBL7993515 0.78 DHPS (0.60) DHPSEDNRA
SCHEMBL2640206 0.77 DHPS (0.62) DHPSEDNRA
SCHEMBL4066788 0.77 DHPS (0.85) DHPSEDNRA
SCHEMBL7996803 0.76 EDNRA (0.48) DHPSEDNRA
SCHEMBL7997005 0.75 EDNRA (0.52) DHPSEDNRA
SCHEMBL7979334 0.73 DHPS (0.61) DHPS
SCHEMBL7993822 0.72 IRAK4 (0.54)

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