SCHEMBL10108484

SCHEMBL10108484

CCCCCCCCCCC(C)c1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.70
ATM Q13315 1/20 0.60
PKM P14618 4/20 0.58
IRS1 P35568 2/20 0.55
GAB1 Q13480 2/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KLKB1 P03952 1/20 0.52
CTSB P07858 1/20 0.52
ELANE P08246 1/20 0.52
APEX1 P27695 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
SCHEMBL10108454 0.93 AKT1 (0.64) AKT1ATMPKMIRS1GAB1
SCHEMBL10108490 0.87 AKT1 (0.69) AKT1PKMIRS1GAB1ALDH1A1
SCHEMBL10108468 0.85 AKT1 (0.52) AKT1ATMPKMIRS1GAB1
SCHEMBL328519 0.84 AKT1 (0.51) AKT1PKMIRS1GAB1HSD17B10
SCHEMBL328515 0.84 AKT1 (0.56) AKT1ATMIRS1GAB1
SCHEMBL288913 0.82 AKT1 (1.00) AKT1ATMPKMIRS1GAB1
SCHEMBL12830173 0.82 AKT1 (0.72) AKT1PKMHSD17B10ALDH1A1MEN1
SCHEMBL12829988 0.82 AKT1 (0.49) AKT1PKMIRS1GAB1ALDH1A1
SCHEMBL11893079 0.81 AKT1 (0.69) AKT1GAB1MEN1KMT2A
SCHEMBL10108706 0.81 AKT1 (0.69) AKT1GAB1MEN1KMT2A

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