SCHEMBL28974471

SCHEMBL28974471

CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H](N)Cc2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAMPT P43490 4/20 0.48
KMT2A Q03164 3/20 0.47
SLC7A5 Q01650 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
USP30 Q70CQ3 1/20 0.46
AAK1 Q2M2I8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.42
ROCK2 O75116 1/20 0.42
CIT O14578 1/20 0.42

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
SCHEMBL28974474 1.00 HTT (0.49) HTTLMNANPSR1NAMPTKMT2A
SCHEMBL30680300 1.00 HTT (0.49) HTTLMNANPSR1NAMPTKMT2A
SCHEMBL2995178 0.87 SLC7A5 (0.56) NAMPTSLC7A5AAK1NPC1RAB9A
SCHEMBL2995175 0.87 SLC7A5 (0.56) NAMPTSLC7A5AAK1NPC1RAB9A
Hydrochloric Acid SCHEMBL23466585 0.85 SLC7A5 (0.55) NAMPTKMT2ASLC7A5MEN1AAK1
SCHEMBL23466413 0.85 USP30 (0.54) HTTLMNANPSR1NAMPTKMT2A
SCHEMBL23466415 0.85 USP30 (0.54) HTTLMNANPSR1NAMPTKMT2A
SCHEMBL30680277 0.85 USP30 (0.54) HTTLMNANPSR1NAMPTKMT2A
SCHEMBL23466769 0.83 HTT (0.53) HTTLMNANPSR1NAMPTKMT2A
SCHEMBL23466770 0.83 HTT (0.53) HTTLMNANPSR1NAMPTKMT2A

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