SCHEMBL7700545

SCHEMBL7700545

Cc1ccc(-c2c(N)nc(-c3ccnc(-c4nnn[nH]4)c3)nc2OCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 12/20 0.42
EDNRB P24530 2/20 0.37
EDNRA P25101 2/20 0.37

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
SCHEMBL7700540 0.88 EDNRB (0.38) DHPSEDNRBEDNRA
SCHEMBL5654649 0.79 DHPS (0.62) DHPSEDNRBEDNRA
SCHEMBL4064364 0.78 DHPS (0.56) DHPS
SCHEMBL7700003 0.77 DHPS (0.46) DHPS
SCHEMBL6961036 0.75 DHPS (0.51) DHPSEDNRBEDNRA
SCHEMBL4060142 0.74 DHPS (0.54) DHPSEDNRBEDNRA
SCHEMBL5765225 0.74 DHPS (0.47) DHPS
Tetrahydrofuran SCHEMBL25230185 0.74 DHPS (0.55) DHPSEDNRBEDNRA
SCHEMBL5654640 0.71 EDNRA (0.51) DHPSEDNRBEDNRA
SCHEMBL25234371 0.71 EDNRA (0.50) DHPSEDNRBEDNRA

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-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed