SCHEMBL328512

SCHEMBL328512

CCCCCCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3OC(C)O3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 2/20 0.43
IRS1 P35568 1/20 0.42
GAB1 Q13480 1/20 0.42
MEN1 O00255 1/20 0.42
KLKB1 P03952 1/20 0.42
CTSB P07858 1/20 0.42
ELANE P08246 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL12829987 0.86 AKT1 (0.55) AKT1ALDH1A1KDM4EHSD17B10PKM
SCHEMBL328513 0.85 AKT1 (0.47) AKT1IRS1GAB1
SCHEMBL10108485 0.84 AKT1 (0.71) AKT1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL12830173 0.83 AKT1 (0.72) AKT1ALDH1A1KDM4EHSD17B10PKM
SCHEMBL328517 0.82 AKT1 (0.56) AKT1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL11893063 0.81 MEN1 (0.53) AKT1ALDH1A1HSD17B10PKMMEN1
SCHEMBL12829705 0.81 AKT1 (0.55) AKT1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL328511 0.80 ALDH1A1 (0.67) AKT1ALDH1A1HSD17B10PKMMEN1
SCHEMBL10108458 0.80 AKT1 (0.53) AKT1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL13648772 0.78 AKT1 (0.71) AKT1ALDH1A1KDM4ELMNAGAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428504-A1 Small molecule inhibitors of the pleckstrin homology domain and method for using same The Board of Regents of the University of Texas System (US) 2012-03-14 EP disclosed
WO-2011032169-A2 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. (US) 2011-03-17 WO disclosed
WO-2009129267-A2 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 WO disclosed