SCHEMBL10108461

SCHEMBL10108461

CCCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.78
ALDH1A1 P00352 4/20 0.64
PKM P14618 2/20 0.64
LMNA P02545 1/20 0.63
GAB1 Q13480 3/20 0.58
IRS1 P35568 2/20 0.58
ATM Q13315 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA3 P07451 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL10555986 0.88 RECQL (0.68) AKT1ALDH1A1PKMGAB1IRS1
Sulfaethidole SCHEMBL152872 0.88 AKT1 (1.00) AKT1ALDH1A1PKMLMNAATM
Butadiazamide SCHEMBL2109869 0.87 ALDH1A1 (0.69) AKT1ALDH1A1PKMLMNAGAB1
Sulfaethidole SCHEMBL10510090 0.86 AKT1 (0.97) AKT1ALDH1A1PKMLMNAATM
Sulfaethidole SCHEMBL1651230 0.85 AKT1 (0.95) AKT1ALDH1A1PKMLMNAATM
SCHEMBL11893089 0.85 AKT1 (0.79) AKT1ALDH1A1PKMLMNAATM
SCHEMBL12829989 0.85 AKT1 (0.88) AKT1ALDH1A1PKMGAB1IRS1
SCHEMBL283033 0.82 AKT1 (0.75) AKT1ALDH1A1LMNAATMCA12
SCHEMBL10108459 0.82 AKT1 (0.80) AKT1ALDH1A1PKMGAB1IRS1
SCHEMBL11891684 0.82 ALDH1A1 (0.77) AKT1ALDH1A1LMNAATMCA12

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