SCHEMBL2668014

SCHEMBL2668014

CCOC(=O)Cc1csc(NC(=O)c2cc(OC(C)C)nc(O[C@H](C)COC)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.63
HTT P42858 1/20 0.63
TSHR P16473 2/20 0.59
LMNA P02545 1/20 0.59
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 5/20 0.54
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL2668009 0.90 GRM5 (0.48) MAPK1HTTTSHRLMNAALDH1A1
SCHEMBL9071027 0.89 MAPK1 (0.59) MAPK1HTTTSHRLMNAALDH1A1
SCHEMBL2667799 0.88 MAPK1 (0.55) MAPK1HTTTSHRLMNAALDH1A1
SCHEMBL2667584 0.88 MAPK1 (0.54) MAPK1HTTTSHRLMNAALDH1A1
SCHEMBL2667791 0.87 MAPT (0.56) MAPK1HTTTSHRLMNAALDH1A1
SCHEMBL2667678 0.87 MAPK1 (0.59) MAPK1HTTTSHRLMNAALDH1A1
SCHEMBL2668000 0.86 MAPT (0.63) MAPK1HTTTSHRLMNAALDH1A1
SCHEMBL2667834 0.86 MAPK1 (0.64) MAPK1HTTTSHRLMNAALDH1A1
SCHEMBL2667815 0.86 MAPK1 (0.57) MAPK1HTTTSHRLMNAALDH1A1
SCHEMBL2667790 0.86 MAPK1 (0.52) MAPK1HTTTSHRLMNAALDH1A1

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-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed