SCHEMBL12808686

SCHEMBL12808686

CC(=O)/C=C/c1ccccc1S(=O)(=O)Nc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.51
MCL1 Q07820 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
KEAP1 Q14145 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
HDAC1 Q13547 2/20 0.46
KCNA5 P22460 1/20 0.45
HCRTR1 O43613 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43

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
SCHEMBL1403386 0.89 SLC16A3 (0.55) SLC16A3MCL1RECQLKMT2AMEN1
SCHEMBL1403387 0.89 SLC16A3 (0.55) SLC16A3MCL1RECQLKMT2AMEN1
SCHEMBL1403110 0.88 KMT2A (0.50) SLC16A3MCL1RECQLKMT2AMEN1
SCHEMBL1403108 0.88 KMT2A (0.50) SLC16A3MCL1RECQLKMT2AMEN1
SCHEMBL1403509 0.88 KMT2A (0.51) SLC16A3MCL1RECQLKMT2AMEN1
SCHEMBL1403508 0.88 KMT2A (0.51) SLC16A3MCL1RECQLKMT2AMEN1
SCHEMBL1403342 0.86 HDAC8 (0.63) SLC16A3MCL1RECQLKMT2AMEN1
SCHEMBL1403343 0.86 HDAC8 (0.63) SLC16A3MCL1RECQLKMT2AMEN1
SCHEMBL1866901 0.76 HDAC8 (0.65) LMNAALDH1A1MAPTHDAC8HDAC6
SCHEMBL1866899 0.76 HDAC8 (0.65) LMNAALDH1A1MAPTHDAC8HDAC6

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-2292593-A2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2011-03-09 EP disclosed