SCHEMBL17595032

SCHEMBL17595032

CCc1cc(C(=O)OC(=O)c2cc(CC)c(-c3ccc(-n4cccc4)cc3)[nH]c2=O)c(=O)[nH]c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GPR119 Q8TDV5 4/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALK Q9UM73 1/20 0.40
NAMPT P43490 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
NR2F2 P24468 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
TGFBR1 P36897 1/20 0.39
PDK2 Q15119 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL17595028 0.92 ALDH1A1 (0.42) LMNAMAPTALDH1A1GPR119DDB1
SCHEMBL14745432 0.85 MAPT (0.47) LMNAMAPTALDH1A1GPR119DDB1
SCHEMBL17595142 0.82 ABCB1 (0.39) LMNAMAPTALDH1A1GPR119DDB1
SCHEMBL14745604 0.75 POLB (0.43) LMNAALDH1A1MEN1KMT2A
SCHEMBL17595141 0.74 ABCB1 (0.40) LMNAMAPTALDH1A1GPR119DDB1
SCHEMBL14745621 0.73 L3MBTL1 (0.43) LMNAMAPTALDH1A1GPR119SMN1; SMN2
SCHEMBL14746007 0.72 MAPT (0.45) LMNAMAPTALDH1A1GPR119DDB1
SCHEMBL14744882 0.72 EZH2 (0.38) MAPTTGFBR1
SCHEMBL3807661 0.71 MAPT (0.64) LMNAMAPTALDH1A1GPR119DDB1
SCHEMBL14745092 0.70 PARP1 (0.43) LMNAMAPTALDH1A1SMN1; SMN2HTT

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-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed