SCHEMBL328581

SCHEMBL328581

CCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.76
CA1 P00915 11/20 0.74
CA2 P00918 11/20 0.74
CA9 Q16790 5/20 0.74
CA12 O43570 4/20 0.74
CA4 P22748 3/20 0.74
CA14 Q9ULX7 3/20 0.74
GAB1 Q13480 1/20 0.67

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
SCHEMBL283044 1.00 AKT1 (0.76) AKT1CA1CA2CA9CA12
SCHEMBL10108711 1.00 AKT1 (0.76) AKT1CA1CA2CA9CA12
SCHEMBL11893060 0.87 CA1 (0.81) AKT1CA1CA2CA9CA12
SCHEMBL282503 0.86 AKT1 (1.00) AKT1CA1CA2CA9CA12
SCHEMBL11893071 0.85 AKT1 (1.00) AKT1
SCHEMBL282468 0.85 AKT1 (1.00) AKT1
SCHEMBL282462 0.84 AKT1 (1.00) AKT1GAB1
SCHEMBL11893069 0.84 AKT1 (1.00) AKT1GAB1
SCHEMBL31058615 0.84 AKT1 (0.98) AKT1
SCHEMBL282883 0.84 AKT1 (0.76) AKT1CA1CA2CA9CA12

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