SCHEMBL3829264

SCHEMBL3829264

COC[C@H](C)NC(=O)c1cn(CC(C)(C)C)c2nc(Nc3ccc(C)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3829271 0.89 ADORA3 (0.39) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL4400986 0.89 ADORA3 (0.39) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL5820105 0.87 KDM4E (0.36) MEN1KMT2AHSD17B10HCAR2KDM4E
SCHEMBL5819978 0.80 MEN1 (0.36) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL5819975 0.80 MEN1 (0.36) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL3834103 0.79 RET (0.38) MEN1KMT2AHSD17B10HCAR2KDM4E
SCHEMBL3830191 0.77 MAPT (0.37) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL3833160 0.76 RET (0.38) KDM4E
SCHEMBL4395555 0.76 RAB9A (0.40) MEN1KMT2AALDH1A1HCAR2KDM4E
SCHEMBL4395549 0.76 RAB9A (0.40) MEN1KMT2AALDH1A1HCAR2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
CN-101252935-A Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions containing them, and methods of their use LEXICON GENETICS INC (US) 2008-08-27 CN disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed