SCHEMBL2667948

SCHEMBL2667948

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OC(C)COC(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
PDE5A O76074 3/20 0.44
SCD O00767 9/20 0.42
ALDH1A1 P00352 2/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39

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
SCHEMBL2668009 0.89 GRM5 (0.48) MAPK1HTTLMNATSHRPDE5A
SCHEMBL2667489 0.87 GRM5 (0.50) HTTKDM4ENPC1MAPTRAB9A
SCHEMBL2667590 0.84 MAPK1 (0.47) MAPK1HTTLMNATSHRPDE5A
SCHEMBL2667614 0.84 ALDH1A1 (0.52) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667629 0.84 ALDH1A1 (0.52) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667668 0.84 ALDH1A1 (0.52) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667648 0.81 GRM5 (0.46) MAPK1HTTLMNATSHRPDE5A
SCHEMBL2667587 0.81 SCD (0.51) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667704 0.81 SCD (0.51) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL9071000 0.80 KDM4E (0.50) MAPK1HTTLMNAPDE5ASCD

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