SCHEMBL7699797

SCHEMBL7699797

COc1ccccc1Oc1c(N)nc(-c2ncccn2)nc1OCCNC(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHPS P49366 12/20 0.56
EDNRA P25101 6/20 0.51
EDNRB P24530 3/20 0.51
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7699796 0.92 EDNRA (0.52) DHPSEDNRAEDNRBATML3MBTL1
SCHEMBL7696685 0.90 EDNRA (0.57) DHPSEDNRAEDNRB
SCHEMBL7696683 0.82 EDNRA (0.56) DHPSEDNRAEDNRB
SCHEMBL4061147 0.80 DHPS (0.80) DHPSEDNRAEDNRB
SCHEMBL7700301 0.79 DHPS (0.64) DHPSEDNRAEDNRB
SCHEMBL4060092 0.78 EDNRB (0.67) DHPSEDNRAEDNRB
SCHEMBL7850706 0.76 EDNRA (0.52) DHPSEDNRAEDNRB
SCHEMBL7209693 0.76 DHPS (0.58) DHPS
SCHEMBL4061140 0.75 EDNRA (0.67) DHPSEDNRAEDNRB
SCHEMBL7700296 0.74 EDNRA (0.57) DHPSEDNRAEDNRB

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