SCHEMBL2665286

SCHEMBL2665286

CC(C)(O)c1cnc(NC(=O)/C(=C/C2CCCC2)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.51
KMT2A Q03164 1/20 0.38
PIK3CA P42336 1/20 0.34
PRKDC P78527 1/20 0.34
PTGS2 P35354 2/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
AKR1C3 P42330 1/20 0.33
KCNH2 Q12809 1/20 0.33
STK25 O00506 1/20 0.32
ATR Q13535 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
SCHEMBL9072563 0.88 GCK (0.40) GCKKCNH2STK25
SCHEMBL9072612 0.87 GCK (0.46) GCKKCNH2
SCHEMBL2665290 0.84 GCK (0.51) GCKKMT2APIK3CAPRKDCPTGS2
SCHEMBL2665310 0.82 GCK (0.49) GCKKMT2APIK3CAPRKDCPTGS2
SCHEMBL9072561 0.82 GCK (0.49) GCKKMT2APIK3CAPRKDCAKR1C3
SCHEMBL2665325 0.81 GCK (0.48) GCKKMT2APIK3CAPRKDCPTGS2
SCHEMBL2665295 0.80 GCK (0.57) GCKKMT2APIK3CAPRKDCKCNH2
SCHEMBL2022862 0.76 GCK (0.48) GCKKMT2APTGS2AKR1C3KCNH2
SCHEMBL2022861 0.76 GCK (0.48) GCKKMT2APTGS2AKR1C3KCNH2
SCHEMBL2646021 0.76 GCK (0.83) GCKKMT2AKCNH2

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
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed