SCHEMBL2667974

SCHEMBL2667974

CCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCCC4)cc3)nc(O[C@H](C)COC)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.49
KCNH2 Q12809 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL9071053 0.99 GCK (0.55) GCKALDH1A1MAPK1LMNATSHR
SCHEMBL9071020 0.94 GCK (0.49) GCKALDH1A1MAPK1LMNATSHR
SCHEMBL2667782 0.94 ALDH1A1 (0.53) GCKALDH1A1MAPK1LMNATSHR
SCHEMBL2667699 0.92 ALDH1A1 (0.55) GCKALDH1A1MAPK1LMNATSHR
SCHEMBL2667969 0.92 GCK (0.51) GCKKCNH2
SCHEMBL9070967 0.91 GCK (0.52) GCKALDH1A1MAPK1LMNATSHR
SCHEMBL9070831 0.91 MAPK1 (0.53) GCKALDH1A1MAPK1LMNATSHR
SCHEMBL9071058 0.91 GCK (0.53) GCKKCNH2
SCHEMBL9071027 0.89 MAPK1 (0.59) GCKALDH1A1MAPK1LMNATSHR
SCHEMBL2667577 0.88 ALDH1A1 (0.67) GCKALDH1A1MAPK1LMNATSHR

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
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed