SCHEMBL10108459

SCHEMBL10108459

CCCCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.80
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
ALDH1A1 P00352 3/20 0.72
GAA P10253 1/20 0.72
MAPT P10636 1/20 0.72
MAPK1 P28482 1/20 0.72
PKM P14618 3/20 0.65
HSD17B10 Q99714 2/20 0.65
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
KLKB1 P03952 1/20 0.61
CTSB P07858 1/20 0.61
ELANE P08246 1/20 0.61
APEX1 P27695 1/20 0.60
IRS1 P35568 1/20 0.59
GAB1 Q13480 1/20 0.59

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
SCHEMBL287025 0.89 AKT1 (1.00) AKT1MEN1KMT2AALDH1A1GAA
SCHEMBL282800 0.87 AKT1 (0.82) AKT1MEN1KMT2AALDH1A1GAA
SCHEMBL282833 0.85 AKT1 (0.78) AKT1MEN1KMT2AALDH1A1GAA
SCHEMBL11891683 0.84 AKT1 (0.77) AKT1MEN1KMT2AALDH1A1GAA
SCHEMBL5402056 0.84 MEN1 (1.00) AKT1MEN1KMT2AALDH1A1GAA
SCHEMBL10555986 0.83 RECQL (0.68) AKT1ALDH1A1PKMCA1CA2
SCHEMBL282264 0.82 AKT1 (0.74) AKT1MEN1KMT2AALDH1A1GAA
SCHEMBL5396386 0.82 AKT1 (0.64) AKT1MEN1KMT2AALDH1A1GAA
Butadiazamide SCHEMBL2109869 0.82 ALDH1A1 (0.69) AKT1MEN1KMT2AALDH1A1MAPT
SCHEMBL10108461 0.82 AKT1 (0.78) AKT1ALDH1A1PKMHSD17B10CA1

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