SCHEMBL13537232

SCHEMBL13537232

CN1CCN(Cc2cn(CCN3CCCC3)c3cc(NO)ccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 3/20 0.43
HTR6 P50406 5/20 0.43
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CACNB4 O00305 3/20 0.39
CACNA1A O00555 3/20 0.39
CACNA1G O43497 3/20 0.39
CACNG3 O60359 3/20 0.39
CACNA1F O60840 3/20 0.39
CACNA1H O95180 3/20 0.39
CACNB3 P54284 3/20 0.39
CACNA2D1 P54289 3/20 0.39
CACNG7 P62955 3/20 0.39
CACNA1B Q00975 3/20 0.39
CACNA1D Q01668 3/20 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
SCHEMBL13537213 0.85 BCL6 (0.44) BCL6HTR6ICMT
SCHEMBL13537295 0.84 HDAC3 (0.42) BCL6HDAC3HDAC1HDAC2HDAC10
SCHEMBL3357970 0.82 NR1H2 (0.47) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL13537296 0.78 PDE4A (0.37) HTR6HDAC1
SCHEMBL3352715 0.78 HTR7 (0.59) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL13537255 0.76 LMNA (0.46) HTR6HDAC8HDAC6ICMTALDH1A1
SCHEMBL13537231 0.75 CNR2 (0.42) HTR6HDAC1ALDH1A1POLB
SCHEMBL13537352 0.73 CACNB4 (0.46) HDAC8HDAC6CACNB4CACNA1ACACNA1G
SCHEMBL13537279 0.69 HTR6 (0.58) HTR6HTR7
SCHEMBL3354038 0.68 NR1H2 (0.46) BCL6HTR6ICMT

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