SCHEMBL6409570

SCHEMBL6409570

CC(C)(C)C(=O)OCn1c(=O)c2c(nc(N3CCN(C(=O)O)CC3)n2-c2ccccc2Cl)n(COC(=O)C(C)(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM5 P41594 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
DCTPP1 Q9H773 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
DPP4 P27487 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PARP1 P09874 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
SCHEMBL4177681 0.94 L3MBTL1 (0.40) MAOBL3MBTL1GAATSHRMAPT
SCHEMBL5719564 0.93 TSHR (0.38) MAOBADORA3L3MBTL1GAATSHR
SCHEMBL2959131 0.91 CNR1 (0.41) L3MBTL1GAATSHRMAPTHSD17B10
SCHEMBL6414889 0.85 HSD17B10 (0.41) L3MBTL1GAATSHRMAPTHSD17B10
SCHEMBL2952792 0.85 L3MBTL1 (0.42) L3MBTL1GAATSHRMAPTHSD17B10
SCHEMBL5718918 0.85 CNR1 (0.38) MAOBADORA3L3MBTL1GAATSHR
SCHEMBL5772185 0.83 HIF1A (0.36) L3MBTL1GAATSHRMAPTLMNA
SCHEMBL6382437 0.81 LMNA (0.42) MAOBADORA3L3MBTL1TSHRLMNA
SCHEMBL5718924 0.80 BACE1 (0.41) MAOBADORA3MAPTLMNASMN1; SMN2
SCHEMBL5719066 0.80 BACE1 (0.36) MAOBADORA3L3MBTL1GAAMAPT

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