SCHEMBL20113739

SCHEMBL20113739

COC(=O)c1[nH]c(Cl)nc1C#CC(C)(C)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
PGK1 P00558 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAF1 P04049 1/20 0.30
F2 P00734 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20113741 0.87 MAPK14 (0.31) MAPK14NPSR1KDM4CRAF1
SCHEMBL20113742 0.73 HAO1 (0.32) HAO1
SCHEMBL20114002 0.72
SCHEMBL20113740 0.69 NPSR1 (0.39) MAPK14NPSR1KDM4CL3MBTL1MAPT
SCHEMBL15730085 0.66 NPSR1 (0.35) MAPK14NPSR1KDM4CLMNARAF1
SCHEMBL23480797 0.64 GAA (0.36) LMNAL3MBTL1F2MAPT
SCHEMBL7883601 0.63 PDE2A (0.33) NPSR1MAPT
SCHEMBL16150297 0.62 ALDH1A1 (0.42) LMNAL3MBTL1MAPTHSD17B10
SCHEMBL2121837 0.62 HCRTR1 (0.35) NPSR1KDM4CL3MBTL1HSD17B10
SCHEMBL7885710 0.62 NPSR1 (0.32) NPSR1KDM4CLMNAF2MAPT

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-3009426-B1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMA CO LTD (JP) 2018-05-02 EP disclosed