SCHEMBL28520175

SCHEMBL28520175

CC(C)c1cccc(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KDM4A O75164 1/20 0.45
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
KCNA5 P22460 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GLS O94925 1/20 0.40
NAMPT P43490 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL112919 0.85 NPSR1 (0.49) ADORA2ANPSR1KDM4APOLBMAPK1
SCHEMBL26697003 0.83 NPSR1 (0.47) NPSR1KDM4APOLBMAPK1ATM
SCHEMBL26616825 0.82 NPSR1 (0.49) NPSR1KDM4APOLBMAPK1ATM
SCHEMBL13940974 0.81 NPSR1 (0.51) NPSR1KDM4APOLBMAPK1ATM
SCHEMBL1629274 0.81 NPSR1 (0.47) NPSR1KDM4APOLBMAPK1ATM
SCHEMBL29510880 0.81 NPSR1 (0.47) ADORA2ANPSR1KDM4APOLBMAPK1
SCHEMBL23355705 0.80 NPSR1 (0.53) ADORA2ANPSR1POLBMAPK1CYP1A2
SCHEMBL13181434 0.80 NPSR1 (0.72) ADORA2ANPSR1L3MBTL1HSD17B10CA12
SCHEMBL1244570 0.80 NPSR1 (0.46) NPSR1KDM4APOLBMAPK1ATM
SCHEMBL17922691 0.78 ADORA2A (0.48) ADORA2ANPSR1KDM4APOLBMAPK1

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-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed