SCHEMBL13537352

SCHEMBL13537352

Cn1cc(CN2CCCCCC2)c2cc(NO)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 5/20 0.46
CACNA1A O00555 5/20 0.46
CACNA1G O43497 5/20 0.46
CACNG3 O60359 5/20 0.46
CACNA1F O60840 5/20 0.46
CACNA1H O95180 5/20 0.46
CACNB3 P54284 5/20 0.46
CACNA2D1 P54289 5/20 0.46
CACNG7 P62955 5/20 0.46
CACNA1B Q00975 5/20 0.46
CACNA1D Q01668 5/20 0.46
CACNB1 Q02641 5/20 0.46
CACNG1 Q06432 5/20 0.46
CACNB2 Q08289 5/20 0.46
CACNA1S Q13698 5/20 0.46
CACNA1C Q13936 5/20 0.46
CACNA1E Q15878 5/20 0.46
CACNA2D4 Q7Z3S7 5/20 0.46
CACNA2D3 Q8IZS8 5/20 0.46
CACNG8 Q8WXS5 5/20 0.46

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
SCHEMBL13537255 0.90 LMNA (0.46) LMNAGLAHDAC8HDAC6ICMT
SCHEMBL3350921 0.80 ACHE (0.50) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3353571 0.78 ACHE (0.51) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5961922 0.76 LMNA (0.69) LMNAGLAHDAC8HDAC6GAA
SCHEMBL3356257 0.74 CACNB4 (0.58) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL11893364 0.73 LMNA (0.50) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL13537295 0.73 HDAC3 (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL13537232 0.73 BCL6 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3352978 0.73 CACNB4 (0.56) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3353653 0.71 ACHE (0.50) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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