SCHEMBL28839601

SCHEMBL28839601

O=C(NCc1ccccc1)NC(CO)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
ANPEP P15144 3/20 0.61
ATM Q13315 2/20 0.60
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.54
MME P08473 1/20 0.52
EPHX1 P07099 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL28839600 1.00 ALDH1A1 (0.65) ALDH1A1ANPEPATMMAPTL3MBTL1
SCHEMBL2563448 0.87 ALDH1A1 (0.83) ALDH1A1ANPEPATML3MBTL1GAA
SCHEMBL8022139 0.87 ALDH1A1 (0.83) ALDH1A1ANPEPATML3MBTL1GAA
SCHEMBL8088658 0.85 ALDH1A1 (0.63) ALDH1A1ANPEPATMMAPTL3MBTL1
SCHEMBL13559295 0.83 NAALAD2 (0.71) ALDH1A1ANPEPATMGAA
SCHEMBL4770866 0.83 ANPEP (0.79) ALDH1A1ANPEPATMMAPTL3MBTL1
SCHEMBL4770883 0.83 ANPEP (0.79) ALDH1A1ANPEPATMMAPTL3MBTL1
SCHEMBL9554537 0.81 ALDH1A1 (0.80) ALDH1A1ANPEPATML3MBTL1GAA
SCHEMBL7128474 0.80 ALDH1A1 (0.58) ALDH1A1ANPEPATM
SCHEMBL2722853 0.80 ALDH1A1 (0.58) ALDH1A1ANPEPATMMAPTL3MBTL1

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
CN-114736197-B Imidazolidinone derivatives and their use 南京医工医药技术有限公司 2022-09-13 CN disclosed
CN-114736197-A Imidazolidinone derivatives and their use 南京医工医药技术有限公司 2022-07-12 CN disclosed