SCHEMBL7979128

SCHEMBL7979128

COc1ccccc1Oc1c(OCC2CCCO2)nc(N2CCSCC2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
PLK1 P53350 1/20 0.41
POLB P06746 1/20 0.40
EDNRB P24530 4/20 0.39
EDNRA P25101 4/20 0.39
CNR2 P34972 2/20 0.39
GPR84 Q9NQS5 2/20 0.39
AXL P30530 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7979130 0.90 GPR84 (0.39) MAPTPOLBEDNRBEDNRAGPR84
SCHEMBL7997022 0.89 MAPT (0.41) MAPTIRAK4PLK1POLBEDNRB
SCHEMBL7979428 0.83 PLK1 (0.42) MAPTIRAK4PLK1POLBEDNRB
SCHEMBL7997001 0.81 EDNRA (0.51) IRAK4EDNRBEDNRA
SCHEMBL7996803 0.79 EDNRA (0.48) MAPTIRAK4POLBEDNRBEDNRA
SCHEMBL7979090 0.78 ALDH1A1 (0.42) MAPTIRAK4POLBEDNRBEDNRA
SCHEMBL7993983 0.77 PIK3CA (0.42) MAPTIRAK4POLBEDNRBEDNRA
SCHEMBL7991613 0.77 GPR84 (0.40) MAPTIRAK4PLK1POLBEDNRB
SCHEMBL7997147 0.77 GPR84 (0.40) MAPTIRAK4POLBGPR84AXL
SCHEMBL4068802 0.76 DHPS (0.50) EDNRBEDNRA

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