SCHEMBL7979542

SCHEMBL7979542

COc1ccccc1Oc1c(N)nc(-c2ccnc(-c3noc(=O)[nH]3)c2)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 17/20 0.56
EDNRB P24530 3/20 0.52
EDNRA P25101 3/20 0.52

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
SCHEMBL7979438 0.90 DHPS (0.56) DHPSEDNRBEDNRA
SCHEMBL7979535 0.89 EDNRB (0.50) DHPSEDNRBEDNRA
SCHEMBL7993871 0.81 EDNRB (0.56) DHPSEDNRBEDNRA
SCHEMBL5632783 0.81 DHPS (0.58) DHPS
SCHEMBL7979436 0.80 EDNRB (0.43) DHPSEDNRBEDNRA
SCHEMBL5036559 0.75 DHPS (0.65) DHPS
SCHEMBL4061454 0.74 DHPS (0.83) DHPS
SCHEMBL5035291 0.74 DHPS (0.51) DHPS
SCHEMBL7993866 0.73 EDNRB (0.55) DHPSEDNRBEDNRA
SCHEMBL30410967 0.73 DHPS (1.00) 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