SCHEMBL2052984

SCHEMBL2052984

CCOc1cnc2[nH]c(C(CC3CCCO3)c3ccc(S(C)(=O)=O)cc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.44
TNK2 Q07912 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1959589 0.92 GCK (0.45) GCKTNK2HPGDALDH1A1KDM4E
SCHEMBL1959386 0.83 GCK (0.56) GCKTNK2LMNA
SCHEMBL1959994 0.81 GCK (0.58) GCKTNK2
SCHEMBL1963296 0.81 GCK (0.58) GCKTNK2
SCHEMBL1963032 0.81 GCK (0.58) GCKTNK2
SCHEMBL1960137 0.79 GCK (0.58) GCK
SCHEMBL1960690 0.78 GCK (0.49) GCK
SCHEMBL1962606 0.78 GCK (0.49) GCK
SCHEMBL1959607 0.78 GCK (0.57) GCK
SCHEMBL1959609 0.78 GCK (0.57) GCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed