SCHEMBL11573181

SCHEMBL11573181

O=NN(CCCl)C(=O)N[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA2A P08913 2/20 0.48
PDE4A P27815 1/20 0.48
ADRA1A P35348 1/20 0.48
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
MEN1 O00255 1/20 0.43
ABCB11 O95342 1/20 0.43
GSR P00390 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PYGB P11216 6/20 0.37
LGALS9 O00182 2/20 0.33
LGALS3 P17931 2/20 0.33

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
SCHEMBL11573190 1.00 LMNA (0.52) LMNAKDM4ECYP2D6CYP2C19ADRA2A
SCHEMBL29572633 1.00 LMNA (0.52) LMNAKDM4ECYP2D6CYP2C19ADRA2A
Chlorozotocin SCHEMBL11409480 0.91 LMNA (0.64) LMNAKDM4ECYP2D6CYP2C19ADRA2A
Chlorozotocin SCHEMBL8539 0.91 LMNA (0.64) LMNAKDM4ECYP2D6CYP2C19ADRA2A
Chlorozotocin SCHEMBL11409484 0.91 LMNA (0.64) LMNAKDM4ECYP2D6CYP2C19ADRA2A
Chlorozotocin SCHEMBL1648834 0.91 LMNA (0.64) LMNAKDM4ECYP2D6CYP2C19ADRA2A
Chlorozotocin SCHEMBL19520816 0.90 LMNA (0.63) LMNAKDM4ECYP2D6CYP2C19ADRA2A
Chlorozotocin SCHEMBL10424026 0.85 LMNA (0.78) LMNAKDM4ECYP2D6CYP2C19ADRA2A
SCHEMBL11432138 0.83 PYGB (0.54) LMNAKDM4ECYP2D6CYP2C19ADRA2A
SCHEMBL11425370 0.83 PYGB (0.54) LMNAKDM4ECYP2D6CYP2C19ADRA2A

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
JP-54144319-A None JP disclosed
JP-S54144319-A NOVEL AMINOGLUCOPYRANOSIDE DERIVATIVE ITS PREPARATION, AND ONCOSTATIC DRUGS COMPRISING IT AS ACTIVE CONSTITUENT KAKEN PHARMACEUT CO LTD 1979-11-10 JP disclosed