SCHEMBL2645207

SCHEMBL2645207

CS(=O)(=O)c1ccc(C(=CC2CCCC2)C(=O)Nc2nccs2)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.61
KCNH2 Q12809 2/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 3/20 0.41
USP2 O75604 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
STAT3 P40763 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL2645203 1.00 GCK (0.61) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2645139 0.89 GCK (0.61) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2645135 0.89 GCK (0.61) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2660152 0.88 GCK (0.60) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2646193 0.87 GCK (0.57) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2646344 0.87 GCK (0.57) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2646340 0.87 GCK (0.57) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2646194 0.87 GCK (0.57) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2645274 0.85 GCK (0.61) GCKKCNH2MEN1KMT2ALMNA
SCHEMBL2645269 0.85 GCK (0.61) GCKKCNH2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP claimed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP claimed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US claimed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO claimed
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed