SCHEMBL7997147

SCHEMBL7997147

COc1ccccc1Oc1c(OCC2CCCO2)nc(OCCN2CCCC2=O)nc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.40
AXL P30530 10/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
TNK2 Q07912 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7997150 0.92 GPR84 (0.42) GPR84AXLTNK2MEN1KMT2A
SCHEMBL7991613 0.90 GPR84 (0.40) GPR84AXLIRAK4POLBMAPT
SCHEMBL7991615 0.81 GPR84 (0.42) GPR84MAPT
SCHEMBL7997001 0.79 EDNRA (0.51) IRAK4
SCHEMBL7979128 0.77 MAPT (0.41) GPR84AXLIRAK4POLBMAPT
SCHEMBL7997022 0.76 MAPT (0.41) GPR84AXLIRAK4POLBMAPT
SCHEMBL7979090 0.76 ALDH1A1 (0.42) AXLIRAK4POLBMAPT
SCHEMBL7996803 0.75 EDNRA (0.48) IRAK4POLBMAPT
SCHEMBL7993983 0.75 PIK3CA (0.42) IRAK4POLBMAPTMEN1KMT2A
SCHEMBL7979428 0.74 PLK1 (0.42) GPR84IRAK4POLBMAPTKMT2A

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