SCHEMBL2667828

SCHEMBL2667828

C=C(O)Cc1csc(NC(=O)c2cc(Oc3ccc(NC(=O)c4ccccc4)cc3)nc(O[C@H](C)COC)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.48
KCNH2 Q12809 3/20 0.48
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE5A O76074 2/20 0.45
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.42
GRM5 P41594 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL2667791 0.91 MAPT (0.56) GCKKCNH2MAPK1MAPT
SCHEMBL2667999 0.87 MAPT (0.49) GCKKCNH2KDM4ESMN1; SMN2MAPK1
SCHEMBL2667724 0.86 KDM4E (0.50) GCKKDM4ESMN1; SMN2PDE5AMAPK1
SCHEMBL9071061 0.85 GCK (0.54) GCKKCNH2KDM4EPDE5AMAPK1
SCHEMBL9071021 0.85 GCK (0.51) GCKKCNH2KDM4ESMN1; SMN2MAPK1
SCHEMBL2668000 0.84 MAPT (0.63) GCKKCNH2SMN1; SMN2MAPK1MAPT
SCHEMBL2668007 0.84 GCK (0.59) GCKKCNH2
SCHEMBL2667580 0.84 GCK (0.50) GCKKCNH2KDM4ESMN1; SMN2GRM5
SCHEMBL2667538 0.84 GCK (0.50) GCKKCNH2KDM4ESMN1; SMN2GRM5
SCHEMBL2667578 0.83 ALDH1A1 (0.54) GCKKCNH2KDM4ESMN1; SMN2MAPK1

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