SCHEMBL20157341

SCHEMBL20157341

Bc1cn(C)c(=O)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KDM4A O75164 1/20 0.39
KCNA5 P22460 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GFER P55789 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
NAMPT P43490 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL20157285 0.84 HDAC10 (0.40) KDM4ELMNAKDM4AKCNA5HDAC10
SCHEMBL21362755 0.81 KCNA5 (0.37) KDM4ELMNAKDM4AKCNA5HDAC10
SCHEMBL20157334 0.77 PRMT5 (0.48) KDM4ELMNAKDM4AKCNA5HDAC10
SCHEMBL21362444 0.76 PRMT5 (0.43) KDM4ELMNAKDM4AKCNA5HDAC10
SCHEMBL13837691 0.74 NAMPT (0.47) KDM4ELMNAKDM4AHDAC10HDAC6
SCHEMBL21550130 0.74 KDM4E (0.42) KDM4ELMNAKDM4AKCNA5HDAC10
SCHEMBL13837417 0.73 BRD9 (0.47) KDM4ELMNAKDM4AL3MBTL1NAMPT
SCHEMBL14138610 0.72 GFER (0.46) KDM4EKDM4AL3MBTL1GFER
SCHEMBL21564983 0.72 KDM4E (0.39) KDM4E
SCHEMBL21481525 0.72 KCNA5 (0.51) LMNAKDM4AKCNA5HDAC10HDAC6

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-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed