SCHEMBL21545837

SCHEMBL21545837

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.54
▸ HTR1A P08908 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CCR5 P51681 1/20 0.45
▸ PTGES O14684 1/20 0.44
▸ SENP5 Q96HI0 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
SCHEMBL30205081 0.88 MAOB (0.53) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL26233638 0.87 MAOB (0.52) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL21545819 0.86 HTR1A (0.55) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL4265217 0.86 MAOB (0.53) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL1447206 0.82 CTSV (0.55) POLBSENP8SENP7SENP6TDP1
SCHEMBL10789091 0.77 NPC1 (0.68) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL18949789 0.76 MAOB (0.51) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL793724 0.75 MEN1 (0.65) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5594953 0.75 MAOB (0.55) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL527978 0.74 MYC (0.70) ALDH1A1LMNAKMT2AMEN1MYC

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 4 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
US-20190344239-A1 HOMOPOLYMER ENCODED NUCLEIC ACID MEMORY Molecular Assemblies, Inc. 2019-11-14 — — US disclosed
Send feedback