SCHEMBL6414889

SCHEMBL6414889

CC(C)(C)C(=O)OCn1c(=O)[nH]c2nc(N3CCN(C(=O)O)CC3)n(-c3ccccc3Cl)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
GRM5 P41594 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.36
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ADORA2B P29275 4/20 0.35
ADORA2A P29274 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
DCTPP1 Q9H773 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
DRD2 P14416 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
SCHEMBL2957517 0.91 MAPT (0.43) HSD17B10TSHRMAPTGRM5GAA
SCHEMBL6427112 0.89 HSD17B10 (0.35) HSD17B10TSHRMAPTGRM5GAA
SCHEMBL6409570 0.85 MAOB (0.38) HSD17B10TSHRMAPTGRM5GAA
SCHEMBL4177681 0.82 L3MBTL1 (0.40) TSHRMAPTGAAL3MBTL1DPP4
SCHEMBL5719564 0.82 TSHR (0.38) HSD17B10TSHRMAPTGRM5GAA
SCHEMBL5719583 0.80 ACHE (0.38) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL6422392 0.78
SCHEMBL2959131 0.77 CNR1 (0.41) HSD17B10TSHRMAPTGAAL3MBTL1
SCHEMBL2954897 0.76 GAA (0.44) HSD17B10TSHRMAPTGAAL3MBTL1
SCHEMBL5718918 0.74 CNR1 (0.38) HSD17B10TSHRMAPTGAAL3MBTL1

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
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed