SCHEMBL2645406

SCHEMBL2645406

O=C(Nc1nccs1)C(=CCC1CCCC1)c1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
POLB P06746 2/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
GCK P35557 3/20 0.41
PDE4B Q07343 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2645401 1.00 EPHX2 (0.49) EPHX2POLBMEN1KMT2ATSHR
SCHEMBL2645691 0.83 GCK (0.54) EPHX2POLBMEN1KMT2ATSHR
SCHEMBL2645694 0.83 GCK (0.54) EPHX2POLBMEN1KMT2ATSHR
SCHEMBL2646925 0.81 GCK (0.64) EPHX2POLBMEN1KMT2ATSHR
SCHEMBL2646927 0.81 GCK (0.64) EPHX2POLBMEN1KMT2ATSHR
SCHEMBL2646037 0.80 KCNH2 (0.50) EPHX2POLBMEN1KMT2ATSHR
SCHEMBL2646038 0.80 KCNH2 (0.50) EPHX2POLBMEN1KMT2ATSHR
SCHEMBL2650518 0.78 POLB (0.40) EPHX2POLBMEN1KMT2ATSHR
SCHEMBL2645851 0.76 TAS1R3 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2645855 0.76 TAS1R3 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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