SCHEMBL5819978

SCHEMBL5819978

CCc1ccc(Nc2ccc3c(C(=O)NC(C)COC)cn(CC(C)C)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

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
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 3/20 0.35
PDE10A Q9Y233 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
P2RX3 P56373 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
NAMPT P43490 2/20 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
SCHEMBL5819975 1.00 MEN1 (0.36) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL4399153 0.89 ALDH1A1 (0.39) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL4399155 0.89 ALDH1A1 (0.39) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL3834103 0.86 RET (0.38) MEN1KMT2AHSD17B10KDM4EHPGD
SCHEMBL3829264 0.80 MEN1 (0.36) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL5820105 0.76 KDM4E (0.36) MEN1KMT2AHSD17B10KDM4EHPGD
SCHEMBL3834107 0.74 RET (0.39) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL4397403 0.74 RET (0.39) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL4400986 0.69 ADORA3 (0.39) MEN1KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL3829271 0.69 ADORA3 (0.39) MEN1KMT2AHSD17B10ALDH1A1TSHR

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