SCHEMBL21362449

SCHEMBL21362449

CC(C)C1(C)OB(Cc2cn(C)c(=O)cc2CNC(=O)OC(C)(C)C)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
KCNA5 P22460 1/20 0.34
AAK1 Q2M2I8 2/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
GFER P55789 1/20 0.30
SERPINE1 P05121 1/20 0.30
KDM4A O75164 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL21362444 0.91 PRMT5 (0.43) PRMT5WDR77KDM4ELMNAKCNA5
SCHEMBL20157334 0.76 PRMT5 (0.48) PRMT5WDR77KDM4ELMNAKCNA5
SCHEMBL20157341 0.71 KDM4E (0.40) PRMT5WDR77KDM4ELMNAKCNA5
SCHEMBL20157285 0.71 HDAC10 (0.40) PRMT5WDR77KDM4ELMNAKCNA5
SCHEMBL3490524 0.66 PRMT5 (0.57) PRMT5WDR77AAK1CA1CA2
SCHEMBL21362755 0.66 KCNA5 (0.37) PRMT5WDR77KDM4ELMNAKCNA5
SCHEMBL13837691 0.64 NAMPT (0.47) KDM4ELMNAL3MBTL1CA1CA2
SCHEMBL21550130 0.64 KDM4E (0.42) PRMT5WDR77KDM4ELMNAKCNA5
SCHEMBL1290158 0.64 PRMT5 (0.57) PRMT5WDR77KCNA5AAK1CA1
SCHEMBL21550012 0.62 AAK1 (0.38) PRMT5WDR77AAK1CA1CA9

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
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed