SCHEMBL328513

SCHEMBL328513

CCCCCCCCCCC(C)c1ccc(S(=O)(=O)Nc2nnc(C3OC(C)O3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.47
GAB1 Q13480 5/20 0.45
IRS1 P35568 3/20 0.43
PDPK1 O15530 1/20 0.40
ABCB11 O95342 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40

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
SCHEMBL10108468 0.85 AKT1 (0.52) AKT1GAB1IRS1
SCHEMBL328512 0.85 AKT1 (0.51) AKT1GAB1IRS1
SCHEMBL10108490 0.81 AKT1 (0.69) AKT1GAB1IRS1
SCHEMBL10108454 0.80 AKT1 (0.64) AKT1GAB1IRS1
SCHEMBL10108484 0.80 AKT1 (0.70) AKT1GAB1IRS1
SCHEMBL11893066 0.79 CA1 (0.55)
SCHEMBL328519 0.79 AKT1 (0.51) AKT1GAB1IRS1
SCHEMBL328515 0.78 AKT1 (0.56) AKT1GAB1IRS1
SCHEMBL12829988 0.76 AKT1 (0.49) AKT1GAB1IRS1
SCHEMBL11893063 0.75 MEN1 (0.53) AKT1

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