SCHEMBL6562095

SCHEMBL6562095

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.46
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 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
SCHEMBL6562009 0.93 GCK (0.48) GCKLMNAMAPT
SCHEMBL6560881 0.88 FFAR2 (0.52) GCK
SCHEMBL6561909 0.87 GCK (0.61) GCK
SCHEMBL6596857 0.86 GCK (0.51) GCK
SCHEMBL2645677 0.86 SMN1; SMN2 (0.53) GCKALDH1A1
SCHEMBL2646191 0.85 ALDH1A1 (0.57) GCKLMNAALDH1A1MAPTCRHBP
SCHEMBL2647038 0.85 GCK (0.47) GCK
SCHEMBL2645498 0.82 GCK (0.51) GCKLMNAMAPT
SCHEMBL6563294 0.82 L3MBTL1 (0.41) GCKLMNAMAPT
SCHEMBL27480878 0.81 GCK (0.52) GCKLMNA

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