SCHEMBL9070855

SCHEMBL9070855

CCOC(=O)Cc1csc(NC(=O)c2cc(Oc3cc(F)cc(Cl)c3)nc(O[C@H](C)COC)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 6/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 3/20 0.47
GCK P35557 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNH2 Q12809 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL2667799 0.95 MAPK1 (0.55) MAPK1HTTLMNATSHRMAPT
SCHEMBL9071049 0.92 MAPK1 (0.55) MAPK1HTTLMNATSHRMAPT
SCHEMBL9070858 0.91 GCK (0.49) MAPK1HTTCYP3A4GCKKCNH2
SCHEMBL2667584 0.89 MAPK1 (0.54) MAPK1HTTLMNATSHRMAPT
SCHEMBL2667815 0.89 MAPK1 (0.57) MAPK1HTTLMNATSHRMAPT
SCHEMBL9071027 0.86 MAPK1 (0.59) MAPK1HTTLMNATSHRMAPT
SCHEMBL2667632 0.86 MAPK1 (0.60) MAPK1HTTLMNATSHRMAPT
SCHEMBL9071061 0.85 GCK (0.54) MAPK1HTTCYP3A4GCKKCNH2
SCHEMBL2668014 0.85 MAPK1 (0.63) MAPK1HTTLMNATSHRMAPT
SCHEMBL2667678 0.84 MAPK1 (0.59) MAPK1HTTLMNATSHRMAPT

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