SCHEMBL4734639

SCHEMBL4734639

NCCN(CN)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
EYA2 O00167 1/20 0.55
APP P05067 1/20 0.55
ACE P12821 1/20 0.55
BLM P54132 4/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 3/20 0.52
PMP22 Q01453 2/20 0.52
ALOX15 P16050 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL309658 0.90 TDP1 (0.68) TDP1EYA2APPACEBLM
SCHEMBL676801 0.90 BLM (0.65) TDP1EYA2APPACEBLM
Hydrochloric Acid SCHEMBL9406491 0.87 BLM (0.62) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL6290706 0.87 TDP1 (0.74) TDP1EYA2APPACEBLM
Ethylenediamine SCHEMBL6094719 0.87 TDP1 (0.65) TDP1EYA2APPACEBLM
Water SCHEMBL5155064 0.87 TDP1 (0.65) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL1686175 0.85 TDP1 (0.70) TDP1EYA2APPACEBLM
Carbamic Acid SCHEMBL20546459 0.85 TDP1 (0.62) TDP1EYA2APPACEBLM
SCHEMBL3416374 0.85 TDP1 (0.75) TDP1EYA2APPACEBLM
SCHEMBL2808754 0.84 TDP1 (0.58) TDP1EYA2APPACEBLM

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-2008077194-A1 RECEPTOR AGONISTS XENOME LTD (AU) 2008-07-03 WO disclosed