SCHEMBL10108720

SCHEMBL10108720

CCCCCCCCCCCC(NC)c1ccc(S(=O)(=O)Nc2nncs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.65
PDPK1 O15530 1/20 0.65
ABCB11 O95342 1/20 0.65
AKT2 P31751 1/20 0.65
GAB1 Q13480 1/20 0.65
AKT3 Q9Y243 1/20 0.65
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL10108706 0.88 AKT1 (0.69) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL10108716 0.88 AKT1 (0.69) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL10108715 0.88 AKT1 (0.69) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL10108268 0.88 AKT1 (0.69) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL11893079 0.88 AKT1 (0.69) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL10108714 0.86 AKT1 (0.67) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL328445 0.83 AKT1 (0.68) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL11891723 0.79 AKT1 (0.74) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL283080 0.79 AKT1 (1.00) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL283518 0.79 AKT1 (1.00) AKT1PDPK1ABCB11AKT2GAB1

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