SCHEMBL24370727

SCHEMBL24370727

CCNC(=O)COCCOC(COc1cccc(C(=O)NCCN)c1)N=[N+]=[N-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.40
▸ F10 P00742 2/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ LOX P28300 2/20 0.36
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ REN P00797 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMPD1 P17405 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
SCHEMBL26319090 0.92 MAOB (0.40) SMN1; SMN2ALDH1A1F10SPHK2GAA
SCHEMBL30587015 0.91 F10 (0.42) SMN1; SMN2ALDH1A1F10SPHK2GAA
SCHEMBL21546126 0.91 F10 (0.42) SMN1; SMN2ALDH1A1F10SPHK2GAA
SCHEMBL13634584 0.91 F10 (0.42) SMN1; SMN2ALDH1A1F10SPHK2GAA
SCHEMBL13525981 0.89 F10 (0.38) ALDH1A1F10SPHK2GAAMAPT
SCHEMBL26167876 0.89 LOX (0.43) SMN1; SMN2ALDH1A1F10SPHK2GAA
SCHEMBL24346423 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1F10SPHK2GAA
SCHEMBL23346373 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1F10GAAMAPT
SCHEMBL24199561 0.86 F10 (0.40) ALDH1A1F10SPHK2GAAMAPT
SCHEMBL14611467 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1GAAMAPTKMT2A

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-2022083686-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE 深圳华大生命科学研究院 2022-04-28 — — WO disclosed
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