SCHEMBL7700540

SCHEMBL7700540

Cc1ccc(-c2c(OCCO)nc(-c3ccnc(-c4nnn[nH]4)c3)nc2C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
DHPS P49366 3/20 0.36
CHEK2 O96017 3/20 0.32
CSNK2A1 P68400 2/20 0.32
MAP4K4 O95819 1/20 0.30
SGK1 O00141 1/20 0.30

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
SCHEMBL7700545 0.88 DHPS (0.42) EDNRBEDNRADHPS
SCHEMBL5654640 0.80 EDNRA (0.51) EDNRBEDNRADHPS
SCHEMBL25234371 0.79 EDNRA (0.50) EDNRBEDNRADHPS
SCHEMBL4064360 0.79 DHPS (0.47) EDNRBEDNRADHPSCSNK2A1
SCHEMBL7700001 0.78 MYC (0.48) DHPSSGK1
SCHEMBL6972287 0.76 DHPS (0.42) EDNRBEDNRADHPSCHEK2SGK1
SCHEMBL4060140 0.76 DHPS (0.46) EDNRBEDNRADHPS
SCHEMBL5765220 0.75 DHPS (0.40) EDNRADHPS
SCHEMBL5631564 0.74 EDNRB (0.43) EDNRBEDNRADHPS
SCHEMBL5654649 0.73 DHPS (0.62) EDNRBEDNRADHPS

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