SCHEMBL28974345

SCHEMBL28974345

CC(C)(C)OC(=O)c1ccccc1.NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
REN P00797 2/20 0.36
SLC7A5 Q01650 1/20 0.36
KDM4E B2RXH2 3/20 0.36
IDH2 P48735 1/20 0.36
MAPT P10636 3/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CTSL P07711 1/20 0.34
ADORA1 P30542 1/20 0.34
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL29758014 0.90 ALDH1A1 (0.42) ALDH1A1L3MBTL1TSHRPKMSMN1; SMN2
SCHEMBL23466596 0.90 F11 (0.40) ALDH1A1L3MBTL1TSHRPKMSMN1; SMN2
SCHEMBL23466593 0.90 F11 (0.40) ALDH1A1L3MBTL1TSHRPKMSMN1; SMN2
SCHEMBL28974343 0.86 IRAK4 (0.39) ALDH1A1L3MBTL1TSHRPKMSMN1; SMN2
SCHEMBL30680254 0.79 F11 (0.45) MAPT
SCHEMBL23466576 0.79 F11 (0.45) MAPT
SCHEMBL28974594 0.79 F11 (0.45) MAPT
SCHEMBL23466417 0.77 F11 (0.40) MAPTNPSR1
SCHEMBL23466416 0.77 F11 (0.40) MAPTNPSR1
SCHEMBL23466410 0.77 F11 (0.41) ALDH1A1L3MBTL1TSHRPKMSMN1; 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