SCHEMBL6466237

SCHEMBL6466237

CCc1csc(C2CCCN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
BAZ2A Q9UIF9 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AADAT Q8N5Z0 2/20 0.44
HSD11B1 P28845 2/20 0.42
TSHR P16473 3/20 0.42
UCHL1 P09936 3/20 0.42
USP30 Q70CQ3 3/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL6468031 0.91 ALDH1A1 (0.45) ALDH1A1BAZ2AMEN1KMT2AL3MBTL1
SCHEMBL6468162 0.90 ALDH1A1 (0.44) ALDH1A1BAZ2AMEN1KMT2AL3MBTL1
SCHEMBL6467149 0.90 ALDH1A1 (0.44) ALDH1A1BAZ2AMEN1KMT2AL3MBTL1
SCHEMBL6466499 0.89 GPR119 (0.44) ALDH1A1BAZ2AMEN1KMT2AL3MBTL1
SCHEMBL2726142 0.84 BAZ2A (0.48) BAZ2AAADATHSD11B1
SCHEMBL14452775 0.83 ALDH1A1 (0.45) ALDH1A1BAZ2AMEN1KMT2AL3MBTL1
SCHEMBL1276058 0.82 NR1H2 (0.44) ALDH1A1MEN1KMT2AL3MBTL1AADAT
SCHEMBL1276060 0.82 NR1H2 (0.44) ALDH1A1MEN1KMT2AL3MBTL1AADAT
SCHEMBL6468249 0.82 HSD11B1 (0.45) ALDH1A1BAZ2AMEN1KMT2AL3MBTL1
SCHEMBL12789591 0.82 NR1H2 (0.59) ALDH1A1BAZ2AMEN1KMT2AL3MBTL1

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed