SCHEMBL2779876

SCHEMBL2779876

NC(=O)ON1C(=O)CCC1=O.O=[N+]([O-])c1ccc(NCCCCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.47
PKM P14618 2/20 0.47
PRSS1 P07477 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GSTM2 P28161 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
HCAR3 P49019 1/20 0.41

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
SCHEMBL1700737 0.85 MAPT (0.60) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL30060749 0.85 MAPT (0.60) MAPTKDM4EALDH1A1POLBPKM
Bicarbonate SCHEMBL2780462 0.84 MAPT (0.50) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL14364287 0.82 MAPT (0.60) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL6233037 0.77 ALDH1A1 (0.67) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL10932609 0.77 MAPT (0.63) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL13248196 0.77 MAPT (0.52) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL2781216 0.76 MAPT (0.40) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL4427844 0.76 MAPT (0.51) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL8868969 0.74 ALDH1A1 (0.52) MAPTKDM4EALDH1A1POLBPKM

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
WO-2010120365-A2 PROTEIN-CARRIER CONJUGATES WU NIAN (US) 2010-10-21 WO disclosed