SCHEMBL2646181

SCHEMBL2646181

CS(=O)(=O)c1ccc(/C(=C\C2CCCCC2)C(=O)Nc2ccc(Br)cn2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GCK P35557 4/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPY5R Q15761 1/20 0.33
KDR P35968 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
PIK3CB P42338 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL2646184 1.00 NPC1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2GCK
SCHEMBL2646712 0.84 GCK (0.41) GCKPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL2646710 0.84 GCK (0.41) GCKPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL2646581 0.84 GCK (0.41) GCKPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL2646583 0.84 GCK (0.41) GCKPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL2646340 0.81 GCK (0.57) ALDH1A1SMN1; SMN2GCKMEN1KMT2A
SCHEMBL2646193 0.81 GCK (0.57) ALDH1A1SMN1; SMN2GCKMEN1KMT2A
SCHEMBL2646194 0.81 GCK (0.57) ALDH1A1SMN1; SMN2GCKMEN1KMT2A
SCHEMBL2646344 0.81 GCK (0.57) ALDH1A1SMN1; SMN2GCKMEN1KMT2A
SCHEMBL6257871 0.81 GCK (0.41) NPC1RAB9AALDH1A1GCKMEN1

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 15 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
CN-1185219-C Trans olefinic glucokinase activators HOFFMANN LA ROCHE (CH) 2005-01-19 CN claimed
CN-1411453-A Trans olefinic glucokinase activators HOFFMANN LA ROCHE (CH) 2003-04-16 CN 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
CN-1185219-C Trans olefinic glucokinase activators HOFFMANN LA ROCHE (CH) 2005-01-19 CN disclosed
CN-1411453-A Trans olefinic glucokinase activators HOFFMANN LA ROCHE (CH) 2003-04-16 CN 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
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
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