SCHEMBL6257871

SCHEMBL6257871

CS(=O)(=O)c1ccc(/C(=C\C2CCCCCC2)C(=O)Nc2nc(Br)cs2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.41
PIK3CD O00329 3/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CG P48736 3/20 0.38
PIK3CB P42338 2/20 0.38
KCNQ1 P51787 1/20 0.34
KCNH2 Q12809 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ADCY8 P40145 1/20 0.32
ADCY1 Q08828 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2646193 0.85 GCK (0.57) GCKKCNH2USP2LMNAMEN1
SCHEMBL2646344 0.85 GCK (0.57) GCKKCNH2USP2LMNAMEN1
SCHEMBL2646194 0.85 GCK (0.57) GCKKCNH2USP2LMNAMEN1
SCHEMBL2646340 0.85 GCK (0.57) GCKKCNH2USP2LMNAMEN1
SCHEMBL2646710 0.85 GCK (0.41) GCKPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL2646581 0.85 GCK (0.41) GCKPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL2646583 0.85 GCK (0.41) GCKPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL2646712 0.85 GCK (0.41) GCKPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL2646184 0.81 NPC1 (0.39) GCKPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL2646181 0.81 NPC1 (0.39) GCKPIK3CDPIK3CAPIK3CGPIK3CB

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 1 patent. 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 disclosed