SCHEMBL9070851

SCHEMBL9070851

COC[C@@H](C)Oc1cc(C(=O)NC(=N)S)cc(Oc2ccc(S(=O)(=O)C3CC3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.45
KCNH2 Q12809 3/20 0.41
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
ABL1 P00519 2/20 0.37

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
SCHEMBL2667444 0.89 F2 (0.41) GCKF2F10PRSS1PRSS2
SCHEMBL2667630 0.89 GCK (0.51) GCKKCNH2
SCHEMBL9071022 0.86 GCK (0.48) GCKKCNH2F2F10PRSS1
SCHEMBL2667646 0.85 GCK (0.46) GCKKCNH2
SCHEMBL9070937 0.85 GCK (0.47) GCKKCNH2
SCHEMBL9071010 0.85 ALDH1A1 (0.44) GCK
SCHEMBL2667819 0.82 GCK (0.44) GCKF2F10
SCHEMBL2667534 0.81 GCK (0.65) GCK
SCHEMBL9070848 0.81 GCK (0.64) GCKKCNH2
SCHEMBL9070853 0.81 GCK (0.55) GCKKCNH2

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