SCHEMBL7979433

SCHEMBL7979433

COc1ccccc1Oc1c(N)nc(-n2ccc3ccccc32)nc1OCC1CCCO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHPS P49366 8/20 0.38
MAPT P10636 1/20 0.37
PLK1 P53350 1/20 0.37
GPR84 Q9NQS5 3/20 0.37
IKBKE Q14164 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4A P27815 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL7979428 0.90 PLK1 (0.42) EDNRBEDNRAALDH1A1MAPTPLK1
SCHEMBL7979130 0.82 GPR84 (0.39) EDNRBEDNRAALDH1A1DHPSMAPT
SCHEMBL7997005 0.79 EDNRA (0.52) EDNRADHPS
SCHEMBL7996807 0.77 DHPS (0.53) EDNRBEDNRADHPS
SCHEMBL7979093 0.76 ALDH1A1 (0.47) EDNRBEDNRAALDH1A1DHPSMAPT
SCHEMBL7993990 0.74 RAB9A (0.44) EDNRBEDNRAALDH1A1MAPTPOLB
SCHEMBL7991615 0.74 GPR84 (0.42) EDNRBEDNRAALDH1A1DHPSMAPT
SCHEMBL7997033 0.72 EDNRB (0.49) EDNRBEDNRAALDH1A1DHPS
SCHEMBL7993553 0.72 DHPS (0.50) EDNRBEDNRADHPSPOLBIRAK4
SCHEMBL7979128 0.72 MAPT (0.41) EDNRBEDNRAALDH1A1MAPTPLK1

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