SCHEMBL1083004

SCHEMBL1083004

CC(C)CC(C(=O)Nc1ccn(C[C@@H]2COC(C)(C)O2)n1)n1ncc(On2nnc3ccccc32)cc1=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
GCK P35557 1/20 0.31
CACNA1G O43497 2/20 0.30
CACNA1H O95180 2/20 0.30
CACNA1I Q9P0X4 2/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL1063206 0.91 GCK (0.37) TMEM97SIGMAR1GCK
SCHEMBL1063205 0.91 GCK (0.37) TMEM97SIGMAR1GCK
SCHEMBL4295776 0.85 CACNA1G (0.32) TMEM97SIGMAR1CACNA1GCACNA1HCACNA1I
SCHEMBL1064925 0.83 CACNA1G (0.33) TMEM97SIGMAR1CACNA1GCACNA1HCACNA1I
SCHEMBL1061639 0.82 CACNA1G (0.36) GCKCACNA1GCACNA1HCACNA1IMAPK14
SCHEMBL1061908 0.82 GCK (0.37) GCK
SCHEMBL1062231 0.82 CASP1 (0.33) TMEM97SIGMAR1GCKCACNA1GCACNA1H
SCHEMBL1063371 0.82 CACNA1G (0.36) TMEM97SIGMAR1GCKCACNA1GCACNA1H
SCHEMBL1063252 0.80 P2RX3 (0.33) GCKCACNA1GCACNA1HCACNA1IMAPK14
SCHEMBL1062681 0.80 CCNK (0.33) GCKCACNA1GCACNA1HCACNA1I

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-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed