SCHEMBL1067129

SCHEMBL1067129

CC(O)C(N)n1ccc([N+](=O)[O-])n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.41
PLAU P00749 2/20 0.41
KLKB1 P03952 2/20 0.41
ELANE P08246 2/20 0.41
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
PKM P14618 3/20 0.36
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CXCR3 P49682 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL1863155 0.80 F2 (0.44) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21826733 0.78 F2 (0.44) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21825683 0.78 F2 (0.44) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21825838 0.76 F2 (0.42) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21826382 0.76 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21825839 0.76 F2 (0.42) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21826394 0.76 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL3945406 0.76 F2 (0.43) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21825720 0.73 F2 (0.39) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21825722 0.73 F2 (0.39) F2PLAUKLKB1ELANEKMT2A

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-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed