SCHEMBL5329592

SCHEMBL5329592

CCOc1cc(NS(=O)(=O)c2ccc(I)cc2)ccc1OCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTR6 P50406 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
CACNA1B Q00975 4/20 0.43
MAPT P10636 3/20 0.43
UTS2R Q9UKP6 1/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CACNA1H O95180 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42

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
SCHEMBL5284607 0.90 LMNA (0.55) ALDH1A1KMT2AMEN1HTR6KDM4E
SCHEMBL6038322 0.90 LMNA (0.55) ALDH1A1KMT2AMEN1HTR6KDM4E
SCHEMBL6542040 0.87 CACNA1B (0.46) ALDH1A1KMT2AMEN1HTR6KDM4E
SCHEMBL6542508 0.79 UTS2R (0.48) ALDH1A1HTR6CACNA1BMAPTUTS2R
SCHEMBL6542002 0.77 LMNA (0.63) ALDH1A1KMT2AMEN1ALOX15MAPT
SCHEMBL6542669 0.74 UTS2R (0.53) ALDH1A1KMT2AMEN1CACNA1BMAPT
SCHEMBL6541270 0.74 PSEN1 (0.44) HTR6CACNA1BMAPTUTS2RLMNA
SCHEMBL6541397 0.73 LMNA (0.64) ALDH1A1KMT2AMEN1ALOX15MAPT
SCHEMBL213547 0.73 LMNA (0.77) ALDH1A1KMT2AMEN1HTR6KDM4E
SCHEMBL6542745 0.72 LMNA (0.63) ALDH1A1KMT2AMEN1ALOX15MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed