SCHEMBL9070937

SCHEMBL9070937

COC[C@@H](C)Oc1cc(C(=O)NC(=N)S)cc(Oc2ccc(S(=O)(=O)N3CCC3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.47
KCNH2 Q12809 5/20 0.42
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2667646 0.98 GCK (0.46) GCKKCNH2ALDH1A1POLBKMT2A
SCHEMBL9071010 0.93 ALDH1A1 (0.44) GCKALDH1A1POLBKMT2A
SCHEMBL2667630 0.87 GCK (0.51) GCKKCNH2
SCHEMBL9071057 0.86 GCK (0.53) GCKKCNH2
SCHEMBL9070851 0.85 GCK (0.45) GCKKCNH2
SCHEMBL9071022 0.84 GCK (0.48) GCKKCNH2
SCHEMBL2667970 0.84 GCK (0.51) GCKKCNH2
SCHEMBL9070941 0.83 GCK (0.60) GCKKCNH2
SCHEMBL2667727 0.82 ALDH1A1 (0.46) ALDH1A1POLBKMT2AGAARAB9A
SCHEMBL2667688 0.82 GCK (0.63) 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