SCHEMBL21362444

SCHEMBL21362444

Cn1cc(CB2OC(C)(C)C(C)(C)O2)c(CNC(=O)OC(C)(C)C)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
KCNA5 P22460 1/20 0.33
KDM4A O75164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DRD2 P14416 2/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL21362449 0.91 PRMT5 (0.38) PRMT5WDR77KDM4ELMNAL3MBTL1
SCHEMBL20157334 0.84 PRMT5 (0.48) PRMT5WDR77KDM4ELMNAL3MBTL1
SCHEMBL20157341 0.76 KDM4E (0.40) PRMT5WDR77KDM4ELMNAL3MBTL1
SCHEMBL20157285 0.76 HDAC10 (0.40) PRMT5WDR77KDM4ELMNAL3MBTL1
SCHEMBL3490524 0.73 PRMT5 (0.57) PRMT5WDR77AAK1KDM4ACA1
SCHEMBL21362755 0.70 KCNA5 (0.37) PRMT5WDR77KDM4ELMNAL3MBTL1
SCHEMBL1290158 0.70 PRMT5 (0.57) PRMT5WDR77AAK1KCNA5KDM4A
SCHEMBL13837691 0.69 NAMPT (0.47) KDM4ELMNAL3MBTL1KDM4ACA1
SCHEMBL16793978 0.69 PRMT5 (0.58) PRMT5WDR77AAK1KCNA5KDM4A
SCHEMBL21550012 0.69 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