SCHEMBL9070827

SCHEMBL9070827

CCOC(=O)Cc1csc(NC(=O)c2cc(OC(C)C)nc(OS(C)(=O)=O)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.63
HTT P42858 1/20 0.63
LMNA P02545 2/20 0.59
TSHR P16473 2/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 3/20 0.54
ALDH1A1 P00352 6/20 0.54
NPC1 O15118 1/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
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
SCHEMBL2667834 0.86 MAPK1 (0.64) MAPK1HTTLMNATSHRMEN1
SCHEMBL2667676 0.86 GCK (0.58) MAPK1HTTLMNATSHRMEN1
SCHEMBL2668014 0.85 MAPK1 (0.63) MAPK1HTTLMNATSHRMEN1
SCHEMBL9071039 0.84 MAPK1 (0.56) MAPK1HTTLMNATSHRMEN1
SCHEMBL2667609 0.83 GCK (0.58) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL2667593 0.83 MAPK1 (0.60) MAPK1HTTLMNATSHRMEN1
SCHEMBL2667758 0.83 MAPK1 (0.63) MAPK1HTTLMNATSHRMEN1
SCHEMBL2667632 0.83 MAPK1 (0.60) MAPK1HTTLMNATSHRMEN1
SCHEMBL2656554 0.83 MAPK1 (0.72) MAPK1HTTLMNATSHRMEN1
SCHEMBL9070997 0.82 MAPK1 (0.59) MAPK1HTTLMNATSHRMEN1

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