SCHEMBL7993371

SCHEMBL7993371

COc1ccccc1Oc1c(OCC2(CO)CCCO2)nc(-c2ccncc2)nc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 13/20 0.45
EDNRB P24530 7/20 0.40
EDNRA P25101 7/20 0.40

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
SCHEMBL7993376 0.90 DHPS (0.55) DHPS
SCHEMBL7979324 0.86 DHPS (0.50) DHPSEDNRBEDNRA
SCHEMBL4066782 0.81 DHPS (0.66) DHPSEDNRBEDNRA
SCHEMBL2640202 0.78 EDNRA (0.52) DHPSEDNRBEDNRA
SCHEMBL7996803 0.78 EDNRA (0.48) DHPSEDNRBEDNRA
SCHEMBL7993509 0.76 DHPS (0.49) DHPSEDNRBEDNRA
SCHEMBL7979334 0.75 DHPS (0.61) DHPS
SCHEMBL7990484 0.74 DHPS (0.44) DHPSEDNRBEDNRA
SCHEMBL4060909 0.73 EDNRB (0.63) DHPSEDNRBEDNRA
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