SCHEMBL10108490

SCHEMBL10108490

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.69
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
GAB1 Q13480 4/20 0.51
IRS1 P35568 3/20 0.49

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 0.87 AKT1 (0.64) AKT1ALDH1A1PKMGAB1IRS1
SCHEMBL10108484 0.87 AKT1 (0.70) AKT1ALDH1A1PKMGAB1IRS1
SCHEMBL328519 0.85 AKT1 (0.51) AKT1ALDH1A1PKMHPGDGAB1
SCHEMBL328515 0.84 AKT1 (0.56) AKT1GAB1IRS1
SCHEMBL12829988 0.83 AKT1 (0.49) AKT1ALDH1A1PKMGAB1IRS1
SCHEMBL283819 0.82 AKT1 (1.00) AKT1ALDH1A1LMNAPKMHPGD
SCHEMBL10108485 0.82 AKT1 (0.71) AKT1ALDH1A1LMNAPKMGAB1
SCHEMBL10108706 0.81 AKT1 (0.69) AKT1GAB1
SCHEMBL11893079 0.81 AKT1 (0.69) AKT1GAB1
SCHEMBL10108716 0.81 AKT1 (0.69) AKT1GAB1

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 1 patent. 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