SCHEMBL3354480

SCHEMBL3354480

O=Cc1cn(CCN2CCCC2)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.49
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48
HRH3 Q9Y5N1 2/20 0.45
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.40
LTA4H P09960 2/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39

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
SCHEMBL3353415 0.83 HTR7 (0.51) HTR7ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL3352477 0.80 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3352715 0.77 HTR7 (0.59) HTR7ALDH1A1KMT2ALMNAMEN1
SCHEMBL13537231 0.77 CNR2 (0.42) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL12642972 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL12642921 0.76 CNR2 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL3353614 0.75 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL1121934 0.74 HTR7 (0.82) HTR7ALDH1A1KMT2ALMNAMEN1
SCHEMBL3352006 0.73 MAPT (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL1121912 0.73 HTR7 (0.80) HTR7ALDH1A1KMT2ALMNAMEN1

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