SCHEMBL3830189

SCHEMBL3830189

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RET P07949 2/20 0.35
KDM4E B2RXH2 3/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SYK P43405 1/20 0.34
MAPK14 Q16539 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RCE1 Q9Y256 1/20 0.33

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
SCHEMBL3830191 1.00 MAPT (0.37) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL5822553 0.91 PTK2 (0.38) SMN1; SMN2RETSYKMAPK14
SCHEMBL3828151 0.91 CNR1 (0.35) SMN1; SMN2RETSYK
SCHEMBL3828156 0.91 CNR1 (0.35) SMN1; SMN2RETSYK
SCHEMBL3833160 0.90 RET (0.38) RETKDM4ESYKGRM5
SCHEMBL5820105 0.90 KDM4E (0.36) MAPTMEN1KMT2ARETKDM4E
SCHEMBL4794491 0.88 RET (0.36) MAPTSMN1; SMN2KMT2ARETKDM4E
SCHEMBL3830200 0.87 MAPT (0.44) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL4399299 0.87 MAPT (0.44) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL5821098 0.86 MAPK1 (0.41) MAPTSMN1; SMN2RETKDM4EHPGD

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-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP 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