SCHEMBL29758014

SCHEMBL29758014

NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.37
UGCG Q16739 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL28974345 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1PKMTSHRSMN1; SMN2
SCHEMBL28974594 0.86 F11 (0.45) MAPT
SCHEMBL30680254 0.86 F11 (0.45) MAPT
SCHEMBL23466576 0.86 F11 (0.45) MAPT
SCHEMBL23486775 0.85 F11 (0.43) ALDH1A1L3MBTL1PKMTSHRSMN1; SMN2
SCHEMBL23466593 0.81 F11 (0.40) ALDH1A1L3MBTL1PKMTSHRSMN1; SMN2
SCHEMBL23466596 0.81 F11 (0.40) ALDH1A1L3MBTL1PKMTSHRSMN1; SMN2
SCHEMBL28974592 0.80 F11 (0.41) ALDH1A1L3MBTL1PKMTSHRSMN1; SMN2
SCHEMBL23486872 0.76 HPGDS (0.42)
SCHEMBL28974343 0.75 IRAK4 (0.39) ALDH1A1L3MBTL1PKMTSHRSMN1; SMN2

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
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed