SCHEMBL7979428

SCHEMBL7979428

COc1ccccc1Oc1c(OCC2CCCO2)nc(-n2ccc3ccccc32)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.42
MAPT P10636 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
POLB P06746 1/20 0.39
CNR2 P34972 5/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
CNR1 P21554 1/20 0.37
GPR84 Q9NQS5 2/20 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
SCHEMBL7979433 0.90 EDNRB (0.38) PLK1MAPTIRAK4POLBCNR2
SCHEMBL7979128 0.83 MAPT (0.41) PLK1MAPTIRAK4POLBCNR2
SCHEMBL7997022 0.82 MAPT (0.41) PLK1MAPTIRAK4POLBCNR2
SCHEMBL7997001 0.81 EDNRA (0.51) IRAK4EDNRBEDNRA
SCHEMBL7996803 0.78 EDNRA (0.48) MAPTIRAK4POLBEDNRBEDNRA
SCHEMBL7979090 0.77 ALDH1A1 (0.42) MAPTIRAK4POLBCNR2HPGD
SCHEMBL7991613 0.76 GPR84 (0.40) PLK1MAPTIRAK4POLBEDNRB
SCHEMBL7993983 0.75 PIK3CA (0.42) MAPTIRAK4POLBKMT2ASMN1; SMN2
SCHEMBL7993551 0.75 EDNRA (0.49) IRAK4POLBEDNRBEDNRA
SCHEMBL7997147 0.74 GPR84 (0.40) MAPTIRAK4POLBKMT2AGPR84

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