SCHEMBL7997029

SCHEMBL7997029

COc1ccccc1Oc1c(OCC2CCCO2)nc(-c2ccnc(C#N)c2)nc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.49
EDNRB P24530 1/20 0.49
IRAK4 Q9NWZ3 4/20 0.44
DHPS P49366 7/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
PLK1 P53350 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 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
SCHEMBL7997033 0.91 EDNRB (0.49) EDNRAEDNRBDHPSALDH1A1KDM4E
SCHEMBL7993551 0.88 EDNRA (0.49) EDNRAEDNRBIRAK4DHPSPOLB
SCHEMBL7996803 0.88 EDNRA (0.48) EDNRAEDNRBIRAK4DHPSPOLB
SCHEMBL6584032 0.85 DHPS (0.55) EDNRAEDNRBDHPS
SCHEMBL7997001 0.85 EDNRA (0.51) EDNRAEDNRBIRAK4
SCHEMBL5032703 0.85 MYC (0.46) EDNRAEDNRBDHPS
SCHEMBL7993866 0.83 EDNRB (0.55) EDNRAEDNRBIRAK4DHPSPOLB
SCHEMBL7997031 0.83 EDNRB (0.59) EDNRAEDNRBIRAK4DHPSPOLB
SCHEMBL7993553 0.79 DHPS (0.50) EDNRAEDNRBIRAK4DHPSPOLB
SCHEMBL5036558 0.79 DHPS (0.48) DHPS

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