SCHEMBL26233455

SCHEMBL26233455

CCC1OC(n2cc(C)c(=O)n(C(=O)c3ccccc3)c2=O)CC1OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.39
MAOB P27338 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR2 P34972 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL21545815 0.89 TOP2A (0.37) RNASE1MAOBCNR2
SCHEMBL26233704 0.84 CA12 (0.36) RNASE1ALDH1A1MEN1KMT2AHTT
SCHEMBL26233454 0.79 RNASE1 (0.51) RNASE1
SCHEMBL26233449 0.79 RNASE1 (0.42) RNASE1
SCHEMBL26233448 0.78 RNASE1 (0.42) RNASE1ALDH1A1HTT
SCHEMBL26233706 0.78 RNASE1 (0.41) RNASE1
SCHEMBL29897125 0.74 RNASE1 (0.68) RNASE1KDM4ENPC1RAB9A
SCHEMBL25764287 0.74 RNASE1 (0.51) RNASE1ALDH1A1
SCHEMBL889536 0.74 ACHE (0.38) SIRT2SIRT1
SCHEMBL14788957 0.74 ACHE (0.38) SIRT2SIRT1

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
US-20230264164-A1 HOMOPOLYMER ENCODED NUCLEIC ACID MEMORY TRILINK BIOTECHNOLOGIES, LLC 2023-08-24 US disclosed