SCHEMBL21545819

SCHEMBL21545819

COC(=O)c1cc(OCc2ccccc2[N+](=O)[O-])c(OCc2ccccc2[N+](=O)[O-])c(OCc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.55
▸ ADRA1D P25100 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ ADRA1B P35368 1/20 0.55
▸ MAOB P27338 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL21545837 0.86 MAOB (0.54) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL30205081 0.85 MAOB (0.53) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL26233638 0.84 MAOB (0.52) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL13257189 0.82 LMNA (0.61) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL2338199 0.76 HPGD (0.76) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL6766796 0.75 MAOB (0.50) MAOBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL30082879 0.74 MYC (0.59) ALDH1A1LMNASMN1; SMN2HPGDKMT2A
SCHEMBL527105 0.74 MYC (0.59) ALDH1A1LMNASMN1; SMN2HPGDKMT2A
SCHEMBL10789091 0.74 NPC1 (0.68) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL6762904 0.73 MAOB (0.46) MAOBALDH1A1LMNAHTTSMN1; SMN2

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 6 patents. 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
US-20230264164-A1 HOMOPOLYMER ENCODED NUCLEIC ACID MEMORY TRILINK BIOTECHNOLOGIES, LLC 2023-08-24 — — US disclosed
US-11612873-B2 Homopolymer encoded nucleic acid memory Molecular Assemblies, Inc. (US) 2023-03-28 — — US disclosed
WO-2020219853-A1 HOMOPOLYMER ENCODED NUCLEIC ACID MEMORY Molecular Assemblies, Inc. (US) 2020-10-29 — — WO disclosed
US-20190344239-A1 HOMOPOLYMER ENCODED NUCLEIC ACID MEMORY Molecular Assemblies, Inc. 2019-11-14 — — US disclosed
US-20190344239-A1 HOMOPOLYMER ENCODED NUCLEIC ACID MEMORY Molecular Assemblies, Inc. 2019-11-14 — — US disclosed
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