SCHEMBL3353415

SCHEMBL3353415

O=[N+]([O-])c1ccc2c(Cl)cn(CCN3CCCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
LTA4H P09960 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 1/20 0.41
ADRA1B P35368 1/20 0.41
GAA P10253 1/20 0.40
BCHE P06276 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL3354480 0.83 HTR7 (0.49) HTR7HRH3ALDH1A1LMNAMEN1
SCHEMBL3352715 0.79 HTR7 (0.59) HTR7HRH3ALDH1A1LMNAMEN1
SCHEMBL3352886 0.79 MAPT (0.42) ALDH1A1LMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL3358037 0.78 ALDH1A1 (0.40) HTR7ALDH1A1SIGMAR1LTA4HPTGS1
SCHEMBL6069457 0.77 CNR1 (0.50) HTR7HRH3ALDH1A1LMNAMEN1
SCHEMBL1121934 0.75 HTR7 (0.82) HTR7HRH3ALDH1A1LMNAMEN1
SCHEMBL13537296 0.74 PDE4A (0.37) SIGMAR1CNR1CNR2
SCHEMBL1121912 0.74 HTR7 (0.80) HTR7HRH3ALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL4525372 0.74 HTR7 (0.80) HTR7HRH3ALDH1A1LMNAMEN1
SCHEMBL2075531 0.73 HTR7 (0.67) HTR7HRH3ALDH1A1LMNAMEN1

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed