SCHEMBL2645274

SCHEMBL2645274

CS(=O)(=O)c1ccc(C(=CC2CCCCC2)C(=O)Nc2nccs2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.61
MAPT P10636 4/20 0.45
THRB P10828 3/20 0.45
LMNA P02545 3/20 0.45
PPARG P37231 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.44
VCAM1 P19320 1/20 0.44
VDR P11473 1/20 0.44
KCNH2 Q12809 1/20 0.43
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL2645269 1.00 GCK (0.61) GCKMAPTTHRBLMNAPPARG
SCHEMBL2660152 0.86 GCK (0.60) GCKMAPTLMNAMEN1HTT
SCHEMBL2645135 0.85 GCK (0.61) GCKMAPTLMNAMEN1HTT
SCHEMBL2645139 0.85 GCK (0.61) GCKMAPTLMNAMEN1HTT
SCHEMBL2645207 0.85 GCK (0.61) GCKMAPTLMNAMEN1HTT
SCHEMBL2645203 0.85 GCK (0.61) GCKMAPTLMNAMEN1HTT
SCHEMBL2646194 0.83 GCK (0.57) GCKMAPTLMNAPOLBMEN1
SCHEMBL2646340 0.83 GCK (0.57) GCKMAPTLMNAPOLBMEN1
SCHEMBL2646193 0.83 GCK (0.57) GCKMAPTLMNAPOLBMEN1
SCHEMBL2646344 0.83 GCK (0.57) GCKMAPTLMNAPOLBMEN1

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 9 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
WO-2006043036-A2 TREATMENT OF DIABETES THE UNIVERSITY OF NEWCASTLE (GB) 2006-04-27 WO disclosed
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