SCHEMBL7993515

SCHEMBL7993515

COc1ccccc1Oc1c(N)nc(-c2ccncc2)nc1OC[C@@H]1C[C@H]1CO

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 19/20 0.60
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 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
SCHEMBL7993509 0.89 DHPS (0.49) DHPSEDNRBEDNRA
SCHEMBL4066788 0.84 DHPS (0.85) DHPSEDNRBEDNRA
SCHEMBL2640206 0.80 DHPS (0.62) DHPSEDNRBEDNRA
SCHEMBL7979334 0.80 DHPS (0.61) DHPS
SCHEMBL7996807 0.79 DHPS (0.53) DHPSEDNRBEDNRA
SCHEMBL7993827 0.78 DHPS (0.52) DHPSEDNRA
SCHEMBL7990488 0.78 DHPS (0.52) DHPSEDNRA
SCHEMBL30412442 0.76 DHPS (1.00) DHPSEDNRBEDNRA
SCHEMBL28573181 0.76 DHPS (1.00) DHPSEDNRBEDNRA
SCHEMBL7993376 0.75 DHPS (0.55) DHPS

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