SCHEMBL328517

SCHEMBL328517

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
IRS1 P35568 2/20 0.52
GAB1 Q13480 2/20 0.52
LMNA P02545 1/20 0.48
PKM P14618 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
APEX1 P27695 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL10108485 0.88 AKT1 (0.71) AKT1ALDH1A1KDM4EIRS1GAB1
SCHEMBL12830173 0.87 AKT1 (0.72) AKT1ALDH1A1KDM4EPKMHSD17B10
SCHEMBL12829705 0.86 AKT1 (0.55) AKT1ALDH1A1KDM4EIRS1GAB1
SCHEMBL328515 0.85 AKT1 (0.56) AKT1IRS1GAB1
SCHEMBL10108458 0.84 AKT1 (0.53) AKT1ALDH1A1KDM4EIRS1GAB1
SCHEMBL13648772 0.82 AKT1 (0.71) AKT1ALDH1A1KDM4EGAB1LMNA
SCHEMBL328512 0.82 AKT1 (0.51) AKT1ALDH1A1KDM4EIRS1GAB1
SCHEMBL12829987 0.81 AKT1 (0.55) AKT1ALDH1A1KDM4EIRS1GAB1
SCHEMBL11893059 0.79 MEN1 (0.61) AKT1ALDH1A1PKMHSD17B10MEN1
SCHEMBL328514 0.78 ALDH1A1 (0.68) AKT1ALDH1A1PKMHSD17B10MEN1

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-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-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