SCHEMBL6562009

SCHEMBL6562009

COC(=O)Oc1csc(NC(=O)C(CC2CCCC2)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.48
LMNA P02545 1/20 0.43
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
FFAR2 O15552 1/20 0.41

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
SCHEMBL6562095 0.93 GCK (0.46) GCKLMNAMAPT
SCHEMBL6561839 0.87 GCK (0.48) GCKFFAR2
SCHEMBL6563774 0.87 FFAR2 (0.56) GCKFFAR2
SCHEMBL2645498 0.86 GCK (0.51) GCKLMNARAB9AMAPTFFAR2
SCHEMBL6595816 0.85 GCK (0.53) GCKRAB9AFFAR2
SCHEMBL2646616 0.85 GCK (0.51) GCKMAPT
SCHEMBL6593978 0.84 GCK (0.48) GCKFFAR2
SCHEMBL27552932 0.83 GCK (0.51) GCKLMNAMAPTFFAR2
SCHEMBL6563810 0.83 KCNH2 (0.45) GCKFFAR2
SCHEMBL2645677 0.82 SMN1; SMN2 (0.53) GCKRAB9A

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
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed