SCHEMBL2668009

SCHEMBL2668009

COC[C@@H](C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OC(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
GCK P35557 3/20 0.46
KCNH2 Q12809 1/20 0.46
PDE5A O76074 2/20 0.46
CPT1A P50416 2/20 0.44
CPT1B Q92523 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SCD O00767 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL2668014 0.90 MAPK1 (0.63) MAPK1HTTSMN1; SMN2LMNATSHR
SCHEMBL2667961 0.90 ALDH1A1 (0.49) GRM5GCKKCNH2PDE5AKDM4E
SCHEMBL2667948 0.89 MAPK1 (0.45) MAPK1HTTPDE5ACPT1ACPT1B
SCHEMBL9071021 0.88 GCK (0.51) GRM5MAPK1GCKKCNH2CPT1A
SCHEMBL2668013 0.87 GRM5 (0.63) GRM5HTTGCKKDM4ESMN1; SMN2
SCHEMBL2667805 0.87 GRM5 (0.63) GRM5HTTGCKKDM4ESMN1; SMN2
SCHEMBL2667538 0.86 GCK (0.50) GRM5GCKKCNH2CPT1ACPT1B
SCHEMBL2667580 0.86 GCK (0.50) GRM5GCKKCNH2CPT1ACPT1B
SCHEMBL2667629 0.86 ALDH1A1 (0.52) MAPK1HTTPDE5AKDM4ESMN1; SMN2
SCHEMBL2667668 0.86 ALDH1A1 (0.52) MAPK1HTTPDE5AKDM4ESMN1; SMN2

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