SCHEMBL13537295

SCHEMBL13537295

COCCn1cc(CN2CCCC2)c2ccc(NO)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CACNB4 O00305 5/20 0.39
CACNA1A O00555 5/20 0.39
CACNA1G O43497 5/20 0.39
CACNG3 O60359 5/20 0.39
CACNA1F O60840 5/20 0.39
CACNA1H O95180 5/20 0.39
CACNB3 P54284 5/20 0.39
CACNA2D1 P54289 5/20 0.39
CACNG7 P62955 5/20 0.39
CACNA1B Q00975 5/20 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 0.92 BCL6 (0.44) BCL6ICMTHRH2
SCHEMBL13537232 0.84 BCL6 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL3351825 0.82 ACHE (0.44) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL3352252 0.81 CACNB4 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL13537417 0.79 CACNB4 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL3356042 0.78 CACNB4 (0.52) MTNR1AMTNR1BCACNB4CACNA1ACACNA1G
SCHEMBL3354509 0.77 CACNB4 (0.54) MTNR1AMTNR1BCACNB4CACNA1ACACNA1G
SCHEMBL13537209 0.77 CNR2 (0.41) NPSR1CNR2
SCHEMBL3354038 0.74 NR1H2 (0.46) BCL6ICMTLMNA
SCHEMBL13537299 0.74 CNR2 (0.52) NPSR1HRH2CNR2KMT2A

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