SCHEMBL9070952

SCHEMBL9070952

CC(C)Oc1cc(C(=O)NC(=N)S)cc(Oc2ccc(C(=O)N3CCOCC3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.48
SELE P16581 1/20 0.43
GCK P35557 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCD O00767 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
HPGD P15428 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LRRK2 Q5S007 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LCK P06239 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
SCHEMBL2667693 0.92 GCK (0.47) GCKKCNH2SCDF10PRSS1
SCHEMBL2667997 0.92 GCK (0.49) GCKKCNH2F10PRSS1PRSS2
SCHEMBL2667566 0.89 HRH3 (0.43) MDM2GCKHRH3ALDH1A1LRRK2
SCHEMBL2667727 0.85 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL9071057 0.81 GCK (0.53) GCKKCNH2
SCHEMBL2667970 0.81 GCK (0.51) GCKKCNH2
SCHEMBL2667770 0.81 F2 (0.43) SELEGCKF10PRSS1PRSS2
SCHEMBL9070949 0.81 GCK (0.66) MDM2GCKKCNH2SCDKMT2A
SCHEMBL9070903 0.80 GCK (0.48) GCKKCNH2HRH3
SCHEMBL9070944 0.80 GCK (0.46) GCKHRH3KMT2AMEN1GAA

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