SCHEMBL2649100

SCHEMBL2649100

CC1(c2ccc(/C(=C\C3CCCC3)C(=O)Nc3nccs3)cc2S(C)(=O)=O)N=NN=N1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.56
KCNH2 Q12809 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 4/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 1/20 0.38
STAT3 P40763 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2650783 0.88 GCK (0.51) GCKMEN1KMT2ALMNATSHR
SCHEMBL2650444 0.87 GCK (0.50) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2650193 0.87 GCK (0.50) GCKMEN1KMT2ALMNATSHR
SCHEMBL2649877 0.87 GCK (0.50) GCKMEN1KMT2ALMNATSHR
SCHEMBL2648958 0.84 GCK (0.48) GCKMEN1KMT2ALMNATSHR
SCHEMBL2645135 0.83 GCK (0.61) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2645139 0.83 GCK (0.61) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2645207 0.83 GCK (0.61) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2645203 0.83 GCK (0.61) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2650499 0.82 GCK (0.35) GCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311504-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014312-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed