SCHEMBL20428258

SCHEMBL20428258

C=CCOc1nc(COC)nc(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4115128 0.87 MAPT (0.47) MAPTMAPK1GAAALDH1A1L3MBTL1
SCHEMBL14883115 0.87 MAPT (0.47) MAPTMAPK1GAAALDH1A1L3MBTL1
SCHEMBL18073442 0.80 MAPT (0.42) MAPTMAPK1
SCHEMBL24157339 0.79 MAPT (0.41) MAPTMAPK1GAAALDH1A1L3MBTL1
SCHEMBL14410167 0.79 MAPT (0.41) MAPTMAPK1GAAALDH1A1L3MBTL1
SCHEMBL23181 0.77 MAPK1 (0.55) MAPTMAPK1ALDH1A1
SCHEMBL20951779 0.76 MAPT (0.44) MAPTMAPK1ALDH1A1
Hydrogen Sulfide SCHEMBL20395887 0.74 MAPK1 (0.53) MAPTMAPK1ALDH1A1
SCHEMBL4111687 0.71 MAPK1 (0.47) MAPTMAPK1GAAALDH1A1L3MBTL1
SCHEMBL31084638 0.71 ALDH1A1 (0.42) GAAALDH1A1L3MBTL1

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
EP-2768611-B1 PROCESS FOR HYDROGENATION OF NITRILE RUBBER USING CATALYST COMPOSITIONS COMPRISING A GRUBBS-HOVEYDA TYPE COMPLEX AND A TERMINAL OLEFIN ARLANXEO DEUTSCHLAND GMBH (DE) 2018-08-01 EP disclosed