SCHEMBL6380827

SCHEMBL6380827

Cn1c(=O)c2c(nc(N3CCN(C(=O)O)CC3)n2-c2ccccc2Cl)n(CC(N)=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.42
DPP4 P27487 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 3/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5719186 0.88 L3MBTL1 (0.44) L3MBTL1HIF1AALDH1A1POLBDPP4
SCHEMBL5771254 0.87 HTR2A (0.50) L3MBTL1HIF1AALDH1A1DPP4NPSR1
Trifluoroacetic Acid SCHEMBL5719504 0.85 DPP4 (0.50) L3MBTL1HIF1AALDH1A1POLBDPP4
SCHEMBL4177681 0.84 L3MBTL1 (0.40) L3MBTL1HIF1AALDH1A1DPP4NPSR1
SCHEMBL5719021 0.82 L3MBTL1 (0.42) L3MBTL1HIF1AALDH1A1DPP4NPSR1
SCHEMBL5792563 0.82 DPP4 (0.56) L3MBTL1HIF1AALDH1A1DPP4NPSR1
SCHEMBL5718793 0.80 MEN1 (0.42) L3MBTL1HIF1AALDH1A1POLBDPP4
Trifluoroacetic Acid SCHEMBL5719312 0.78 DPP4 (0.50) L3MBTL1ALDH1A1POLBDPP4NPSR1
SCHEMBL5789419 0.78 DPP4 (0.46) L3MBTL1HIF1AALDH1A1DPP4NPSR1
Trifluoroacetic Acid SCHEMBL5718920 0.78 DPP4 (0.51) L3MBTL1HIF1AALDH1A1DPP4NPSR1

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-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed