SCHEMBL28958554

SCHEMBL28958554

O=C(O)c1ccc(Cl)cc1Nc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
G6PD P11413 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ASPH Q12797 1/20 0.47
KDM8 Q8N371 1/20 0.47
TSHR P16473 1/20 0.47
GRIK1 P39086 4/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC25A1 P53007 1/20 0.46
KCNMA1 Q12791 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL10866854 0.90 MEN1 (0.47) MEN1MAPTKMT2AG6PDCRHBP
SCHEMBL28567895 0.90 L3MBTL1 (0.59) MEN1MAPTKMT2AG6PDCRHBP
SCHEMBL22720165 0.84 KDM4E (0.60) MEN1MAPTKMT2AKDM4EASPH
SCHEMBL16737117 0.83 MAPT (0.51) MEN1MAPTKMT2AKDM4EASPH
SCHEMBL11192184 0.82 LMNA (0.57) MEN1MAPTKMT2AKDM4EASPH
SCHEMBL21248493 0.79 L3MBTL1 (0.55) MEN1MAPTKMT2AKDM4EASPH
SCHEMBL21248559 0.79 L3MBTL1 (0.55) MEN1KMT2AG6PDCRHBPCRHR2
SCHEMBL21248517 0.79 L3MBTL1 (0.55) MEN1MAPTKMT2AKDM4EASPH
SCHEMBL16489005 0.79 AKR1C3 (0.67) MEN1MAPTKMT2AKDM4EGRIK1
SCHEMBL28965118 0.79 G6PD (0.55) MEN1MAPTKMT2AG6PDCRHBP

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-115557890-B Polysubstituted acridone alkyl derivative and preparation method and application thereof 宁波大学 2024-06-25 CN disclosed
CN-115557890-A Polysubstituted acridone alkyl derivative and preparation method and application thereof 宁波大学 2023-01-03 CN disclosed