SCHEMBL2040287

SCHEMBL2040287

CS(=O)(=O)c1ccc(C(=CC2CCC3(C2)OCCO3)c2cc3c(S(=O)(=O)c4ccccc4)ccnc3[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.41
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
FFAR2 O15552 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30
MMP17 Q9ULZ9 1/20 0.30
POLB P06746 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
SCHEMBL1962128 0.83 GCK (0.57) GCK
SCHEMBL1962129 0.83 GCK (0.57) GCK
SCHEMBL1962131 0.83 GCK (0.57) GCK
SCHEMBL1961733 0.72 GCK (0.34) GCKALDH1A1LMNAMMP2POLB
SCHEMBL1961735 0.72 GCK (0.34) GCKALDH1A1LMNAMMP2POLB
SCHEMBL1961732 0.72 GCK (0.34) GCKALDH1A1LMNAMMP2POLB
SCHEMBL1961082 0.68 GCK (0.63) GCKTBK1
SCHEMBL1959974 0.64 GCK (0.56) GCKKDM4E
SCHEMBL1959972 0.64 GCK (0.56) GCKKDM4E
SCHEMBL1959971 0.64 GCK (0.56) GCKKDM4E

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