SCHEMBL9070809

SCHEMBL9070809

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OCC(=N)N)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
PDE5A O76074 2/20 0.44
SCD O00767 8/20 0.44
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9070810 0.87 GCK (0.48) HTTSCDRAB9AMAPTNPC1
SCHEMBL2667590 0.82 MAPK1 (0.47) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667541 0.82 GCK (0.47) MAPK1ALDH1A1RAB9AMAPTNPC1
SCHEMBL2667994 0.82 MAPK1 (0.47) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2668009 0.82 GRM5 (0.48) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667686 0.81 MAPK1 (0.43) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667704 0.81 SCD (0.51) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667587 0.81 SCD (0.51) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667629 0.80 ALDH1A1 (0.52) MAPK1HTTPDE5ASCDALDH1A1
SCHEMBL2667668 0.80 ALDH1A1 (0.52) MAPK1HTTPDE5ASCDALDH1A1

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