SCHEMBL31058396

SCHEMBL31058396

O=Cc1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3C=O)c3ccccc3C=O)cc2)cc1)c1ccccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
APP P05067 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TRIM24 O15164 2/20 0.39
TRIM33 Q9UPN9 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.33
XDH P47989 1/20 0.33
ERN1 O75460 2/20 0.32
PTPN1 P18031 3/20 0.32
PTPN2 P17706 2/20 0.32
SRC P12931 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
SCHEMBL31298129 0.88 KMT2A (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL31011790 0.87 SIGMAR1 (0.36) LMNAKMT2AMEN1THRBBLM
SCHEMBL30825190 0.85 ALDH1A1 (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL50149 0.83 KMT2A (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL374886 0.83 LMNA (0.60) LMNAKMT2AMEN1THRBBLM
SCHEMBL3652788 0.81 ALDH1A1 (0.45) LMNAKMT2AMEN1THRBBLM
SCHEMBL30022854 0.81 ALDH1A1 (0.45) LMNAKMT2AMEN1THRBBLM
SCHEMBL30825175 0.81 LMNA (0.43) LMNAKMT2AMEN1THRBBLM
SCHEMBL4728239 0.80 KMT2A (0.39) LMNAKMT2AMEN1THRBBLM
SCHEMBL30825194 0.78 KMT2A (0.40) LMNAKMT2AMEN1THRBBLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118240160-A Reversible redox-catalysis-based covalent organic frameworks and their use in bifunctional photoelectrochemical devices 中国科学院福建物质结构研究所 2024-06-25 CN claimed
CN-118240160-A Reversible redox-catalysis-based covalent organic frameworks and their use in bifunctional photoelectrochemical devices 中国科学院福建物质结构研究所 2024-06-25 CN disclosed