SCHEMBL31721189

SCHEMBL31721189

C#Cc1cccc(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GLS O94925 2/20 0.39
NAMPT P43490 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BCHE P06276 1/20 0.39
NQO2 P16083 1/20 0.39
CYP1A2 P05177 1/20 0.38
PARP1 P09874 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2956934 0.87 KDM4A (0.47) KDM4ANPSR1POLBMAPK1ATM
SCHEMBL31721309 0.85 KDM4A (0.43) KDM4ANPSR1POLBMAPK1ATM
SCHEMBL26616825 0.81 NPSR1 (0.49) KDM4ANPSR1POLBMAPK1ATM
SCHEMBL112919 0.81 NPSR1 (0.49) KDM4ANPSR1POLBMAPK1ATM
SCHEMBL2765756 0.80 NPSR1 (0.70) NPSR1POLBCA12CA9CYP1A2
SCHEMBL1629274 0.80 NPSR1 (0.47) KDM4ANPSR1POLBMAPK1ATM
SCHEMBL26697003 0.80 NPSR1 (0.47) KDM4ANPSR1POLBMAPK1ATM
SCHEMBL29510880 0.80 NPSR1 (0.47) KDM4ANPSR1POLBMAPK1ATM
SCHEMBL13940974 0.80 NPSR1 (0.51) KDM4ANPSR1POLBMAPK1ATM
SCHEMBL1244570 0.78 NPSR1 (0.46) KDM4ANPSR1POLBMAPK1ATM

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
WO-2025231152-A1 COMPOUNDS AND METHODS FOR RESTORING BETA-ADRENERGIC RECEPTOR FUNCTION THE CLEVELAND CLINIC FOUNDATION (US) 2025-11-06 WO disclosed