SCHEMBL3357652

SCHEMBL3357652

Cn1cc(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.59
HRH3 Q9Y5N1 2/20 0.53
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KCNJ1 P48048 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 2/20 0.46
POLB P06746 2/20 0.45
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44

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
SCHEMBL3358883 0.91 CTSB (0.59) CTSBHRH3MAPTALDH1A1KCNJ1
SCHEMBL3357630 0.88 ALDH1A1 (0.53) CTSBHRH3ALDH1A1LMNASMN1; SMN2
SCHEMBL3356418 0.88 HTR6 (0.54) CTSBLMNASMN1; SMN2HTR6
SCHEMBL3353183 0.85 CTSB (0.53) CTSBHRH3MAPTALDH1A1KCNJ1
SCHEMBL3357604 0.81 CTSB (0.56) CTSBMAPTALDH1A1KCNJ1LMNA
SCHEMBL3352554 0.80 KMT2A (0.51) CTSBMAPTALDH1A1KCNJ1LMNA
SCHEMBL3352978 0.79 CACNB4 (0.56) CTSBHRH3MAPTALDH1A1LMNA
SCHEMBL3358110 0.79 HRH3 (0.55) HRH3MAPTALDH1A1LMNAKMT2A
SCHEMBL13537253 0.79 HRH3 (0.48) CTSBHRH3MAPTALDH1A1KCNJ1
SCHEMBL3356257 0.78 CACNB4 (0.58) CTSBHRH3MAPTALDH1A1LMNA

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