SCHEMBL4398943

SCHEMBL4398943

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37
AURKA O14965 3/20 0.37

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
SCHEMBL4291540 0.86 NPSR1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL4300220 0.78 ALDH1A1 (0.52) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL4296769 0.74 L3MBTL1 (0.46) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL4298023 0.70 ALDH1A1 (0.59) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL23928571 0.69 L3MBTL1 (0.61) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL4302539 0.69 L3MBTL1 (0.62) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL3833234 0.69 HTR2C (0.45) ALDH1A1SMN1; SMN2LMNAPOLBNPC1
SCHEMBL68334 0.68 ALDH1A1 (0.58) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL4698487 0.68 ALDH1A1 (0.58) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL18134651 0.68 ALDH1A1 (0.48) L3MBTL1ATMALDH1A1KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed