SCHEMBL28047152

SCHEMBL28047152

NNN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HEXA P06865 6/20 0.58
HEXB P07686 6/20 0.58
ERCC1 P07992 1/20 0.57
FEN1 P39748 1/20 0.57
ERCC4 Q92889 1/20 0.57
CYP1B1 Q16678 1/20 0.56
OGA O60502 1/20 0.56
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
SIRT1 Q96EB6 3/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.51
AKR1B1 P15121 1/20 0.51
ALOX15 P16050 1/20 0.51
CES2 O00748 1/20 0.50

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
SCHEMBL398765 0.81 CYP1A2 (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29616462 0.80 ALDH1A1 (0.61) ALDH1A1HEXAHEXBERCC1FEN1
SCHEMBL22926629 0.80 ALDH1A1 (0.61) ALDH1A1HEXAHEXBERCC1FEN1
SCHEMBL28305410 0.78 ERCC1 (0.55) ALDH1A1HEXAHEXBERCC1FEN1
SCHEMBL29125604 0.77 ALDH1A1 (0.57) ALDH1A1HEXAHEXBERCC1FEN1
SCHEMBL27999701 0.77 CYP1B1 (0.62) ALDH1A1HEXAHEXBERCC1FEN1
SCHEMBL4604913 0.77 MPO (0.70) ALDH1A1HEXAHEXBERCC1FEN1
Water SCHEMBL16198039 0.77 CYP1A2 (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL28040117 0.77 USP2 (0.66) ALDH1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL13207607 0.76 HEXA (0.73) ALDH1A1HEXAHEXBERCC1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736195-A Nitrofuran hydrazone naphthalimide compound, and preparation method and application thereof 西南大学 2024-03-22 CN claimed
CN-116836115-A Hydrazine naphthalimide functionalized column [5] arene, supermolecule assembly, thin film sensor, and preparation methods and applications thereof 河北师范大学 2023-10-03 CN claimed
CN-108061728-A A kind of supermolecule sensor and its synthesis and fluorescence identifying fluorine ion and arginic application 西北师范大学 2018-05-22 CN claimed
CN-117736195-A Nitrofuran hydrazone naphthalimide compound, and preparation method and application thereof 西南大学 2024-03-22 CN disclosed
CN-115572335-B Chitosan-based fluorescent probe for formaldehyde monitoring and preparation method and application thereof 齐鲁工业大学 2024-01-16 CN disclosed
CN-116836115-A Hydrazine naphthalimide functionalized column [5] arene, supermolecule assembly, thin film sensor, and preparation methods and applications thereof 河北师范大学 2023-10-03 CN disclosed
CN-116836115-A Hydrazine naphthalimide functionalized column [5] arene, supermolecule assembly, thin film sensor, and preparation methods and applications thereof 河北师范大学 2023-10-03 CN disclosed
CN-116836115-A Hydrazine naphthalimide functionalized column [5] arene, supermolecule assembly, thin film sensor, and preparation methods and applications thereof 河北师范大学 2023-10-03 CN disclosed
CN-115572335-A Chitosan-based fluorescent probe for monitoring formaldehyde and preparation method and application thereof 齐鲁工业大学 2023-01-06 CN disclosed
CN-105503768-B The preparation method of the fluorescence of alpha ketoglutaric acids/ultraviolet molecular probe and its application in biological specimen 曲阜师范大学 2018-01-30 CN disclosed
CN-105542756-B A kind of fluorescence probe for detecting formaldehyde and preparation method and application 浙江理工大学 2017-12-22 CN disclosed
CN-105542756-A Fluorescent probe for detecting formaldehyde as well as preparation method and application of fluorescent probe UNIV ZHEJIANG SCIENCE & TECH 2016-05-04 CN disclosed
CN-105503768-A Preparation method of alpha-oxoglutarate fluorescent/ultraviolet molecular probe and application of alpha-oxoglutarate fluorescent/ultraviolet molecular probe to biological samples UNIV QUFU NORMAL 2016-04-20 CN disclosed