SCHEMBL4666015

SCHEMBL4666015

COc1ccc(NC(=O)[C@](C)(NC(=O)O)C(C)(C)C)cc1NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 4/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR27 Q9NS67 1/20 0.46
HTT P42858 1/20 0.44
GHSR Q92847 1/20 0.44
CYP2C9 P11712 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
SCHEMBL2983460 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2983173 0.78 SMN1; SMN2 (0.54) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2990832 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2990833 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2992222 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2986118 0.71 ACLY (0.53) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL13245973 0.71 GHSR (0.54) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL4730290 0.71 LMNA (0.71) ALDH1A1KMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL2991778 0.70 GHSR (0.54) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL4763638 0.70 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT

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-2007716-A1 ARYL AND HETEROARYL SULPHONAMIDES AS GROWTH HORMONE SECRETAGOGUE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
WO-2007118852-A1 ARYL AND HETEROARYL SULPHONAMIDES AS GROWTH HORMONE SECRETAGOGUE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-10-25 WO disclosed