SCHEMBL2734460

SCHEMBL2734460

CCOC(=O)c1sc(Nc2cc(Oc3ccc(-c4nnc(C)o4)cc3)cc(OC(C)COC)c2)nc1CO

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.40
KCNH2 Q12809 3/20 0.40
DHODH Q02127 8/20 0.40
KIFC1 Q9BW19 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL2725531 0.92 GCK (0.38) GCKKCNH2DHODHKIFC1KDM4E
SCHEMBL9897475 0.91 GCK (0.49) GCKKCNH2KIFC1
SCHEMBL2726219 0.87 GCK (0.41) GCKKCNH2KDM4EMAPTALDH1A1
SCHEMBL2725891 0.87 GCK (0.44) GCKKCNH2KDM4EMAPTALDH1A1
SCHEMBL9899104 0.84 GCK (0.46) GCKKCNH2
SCHEMBL2726593 0.82 GCK (0.41) GCKKCNH2
SCHEMBL1270761 0.81 KDM4E (0.38) DHODHKIFC1KDM4EMAPTALDH1A1
SCHEMBL1271151 0.81 GCK (0.41) GCKKCNH2
SCHEMBL2728096 0.80 GCK (0.46) GCKKCNH2KDM4EMAPTALDH1A1
SCHEMBL2724942 0.80 GCK (0.47) GCKKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445908-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2010150280-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS CADILA HEALTHCARE LIMITED (IN) 2010-12-29 WO disclosed