SCHEMBL7698526

SCHEMBL7698526

COc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHPS P49366 15/20 0.46
EDNRB P24530 3/20 0.41
EDNRA P25101 3/20 0.41
KLK3 P07288 1/20 0.39

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
SCHEMBL7700308 0.88 DHPS (0.51) DHPSEDNRBEDNRA
SCHEMBL7698527 0.84 DHPS (0.65) DHPS
SCHEMBL4062097 0.84 DHPS (0.51) DHPSEDNRBEDNRA
SCHEMBL4060942 0.84 DHPS (0.56) DHPSEDNRBEDNRA
SCHEMBL4061451 0.82 DHPS (0.58) DHPSEDNRBEDNRA
SCHEMBL5763617 0.79 EDNRB (0.64) DHPSEDNRBEDNRA
SCHEMBL7694584 0.78 EDNRB (0.44) DHPSEDNRBEDNRAKLK3
SCHEMBL6585958 0.75 DHPS (0.55) DHPS
SCHEMBL5036558 0.75 DHPS (0.48) DHPS
SCHEMBL5097958 0.75 KDM4E (0.42) 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