SCHEMBL2051447

SCHEMBL2051447

NC(=O)Oc1cnc2c(c1)cc(C(O)CC1CCOCC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
FFAR2 O15552 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GCK P35557 4/20 0.32
BRD4 O60885 2/20 0.32
ATXN2 Q99700 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL1959821 0.89 NPC1 (0.36) POLBTSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL1958741 0.84 RECQL (0.35) HTTPOLBTSHRSMN1; SMN2LMNA
SCHEMBL27889611 0.83 CASP3 (0.34) LMNARECQLBRD4ALDH1A1
SCHEMBL1963113 0.81 RECQL (0.43) HTTPOLBTSHRSMN1; SMN2LMNA
SCHEMBL1961925 0.81 FKBP1A (0.36) HTTPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL1961549 0.80 IDO1 (0.36) HTTPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL1962022 0.79 RORC (0.42)
SCHEMBL1962077 0.76 PDE5A (0.38) RECQLPDE5APDE4APDE4BPDE4C
SCHEMBL1963563 0.76 RECQL (0.36) RECQLPDE5APDE4APDE4BPDE4C
SCHEMBL1962683 0.75 ALDH1A1 (0.39) HTTTSHRSMN1; SMN2LMNABRD4

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