SCHEMBL5820105

SCHEMBL5820105

COCC(C)NC(=O)c1cn(C(C)(C)C)c2nc(Nc3ccc(C)cc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 1/20 0.35
RET P07949 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
SCHEMBL3834103 0.91 RET (0.38) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL3834104 0.91 RET (0.38) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL3830189 0.90 MAPT (0.37) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL3830191 0.90 MAPT (0.37) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL3833160 0.89 RET (0.38) KDM4ERET
SCHEMBL4395555 0.88 RAB9A (0.40) KDM4EMEN1HPGDKMT2AHCAR2
SCHEMBL4395549 0.88 RAB9A (0.40) KDM4EMEN1HPGDKMT2AHCAR2
SCHEMBL3829267 0.87 MEN1 (0.36) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL3829264 0.87 MEN1 (0.36) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL3828151 0.86 CNR1 (0.35) RET

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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed