SCHEMBL2667587

SCHEMBL2667587

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(O[C@H](C)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.51
PDE5A O76074 4/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL2667704 1.00 SCD (0.51) SCDPDE5AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2667668 0.87 ALDH1A1 (0.52) SCDPDE5AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2667629 0.87 ALDH1A1 (0.52) SCDPDE5AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2667614 0.87 ALDH1A1 (0.52) SCDPDE5AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2667590 0.86 MAPK1 (0.47) SCDPDE5AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2667724 0.84 KDM4E (0.50) SCDPDE5AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2668009 0.83 GRM5 (0.48) SCDPDE5AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2667666 0.83 SCD (0.48) SCDPDE5AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2667764 0.83 RAB9A (0.49) PDE5AKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL2667555 0.82 GCK (0.53) SCDPDE5AKDM4EALDH1A1PDE1A

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