SCHEMBL7540966

SCHEMBL7540966

COC(=O)Oc1ncc(C)nc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.36
EDNRA P25101 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 5/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC13A5 Q86YT5 2/20 0.33
SLC13A2 Q13183 1/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
RECQL P46063 1/20 0.33
ABCB11 O95342 1/20 0.32
LPAR1 Q92633 1/20 0.32
HPGDS O60760 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7542788 0.85 SLC13A5 (0.35) ALDH1A1KDM4EMAPTSLC13A5POLB
SCHEMBL7542068 0.85 ALOX5 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7544018 0.83 POLB (0.38) CCR4EDNRAALDH1A1HPGDSPOLB
SCHEMBL15233567 0.79 CCR4 (0.38) CCR4EDNRAALDH1A1KDM4EHPGD
SCHEMBL7541379 0.74 NPSR1 (0.47) CCR4EDNRAALDH1A1KDM4EHPGD
SCHEMBL1475724 0.74 NPSR1 (0.47) CCR4ALDH1A1KDM4EHPGDMEN1
SCHEMBL7549980 0.73 ALOX5 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6642410 0.72 CCR4 (0.45) CCR4EDNRAALDH1A1MEN1KMT2A
SCHEMBL7542243 0.71 POLB (0.40) CCR4EDNRAALDH1A1KDM4EHPGD
SCHEMBL3170311 0.70 POLB (0.42) CCR4EDNRAHPGDSPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889038-B1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 2002-05-29 EP claimed
EP-0889038-A1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 1999-01-07 EP claimed
EP-0889038-B1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 2002-05-29 EP disclosed
EP-0889038-A1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 1999-01-07 EP disclosed