SCHEMBL25214540

SCHEMBL25214540

O=[N+]([O-])c1cnc2c(ccc3c([N+](=O)[O-])c([N+](=O)[O-])cnc32)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 3/20 0.39
CTSB P07858 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
NPC1 O15118 1/20 0.39
BRD4 O60885 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL8561101 0.77 POLB (0.53) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL28449316 0.73 MAPT (0.60) ALDH1A1MAPTL3MBTL1TDP1PDE10A
SCHEMBL30398243 0.72 MAPT (0.37) ALDH1A1MAPTL3MBTL1TDP1PDE10A
SCHEMBL29022876 0.72 MAPT (0.37) ALDH1A1MAPTL3MBTL1TDP1PDE10A
SCHEMBL1073830 0.72 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1TDP1PDE10A
SCHEMBL30492653 0.71 MAPT (0.59) ALDH1A1MAPTL3MBTL1TDP1PDE10A
SCHEMBL25196444 0.71 MAPT (0.59) ALDH1A1MAPTL3MBTL1TDP1PDE10A
SCHEMBL596751 0.69 CDK2 (0.44) ALDH1A1MAPTL3MBTL1TDP1MEN1
SCHEMBL6833236 0.69 TSHR (0.42) ALDH1A1TDP1TSHRGPR35
SCHEMBL3201195 0.67 CDK2 (0.33) ALDH1A1TSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-111718381-A Osmium metal organic compound containing polypyridine ligand and preparation method and application thereof 荆楚理工学院 2020-09-29 CN claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
CN-111518145-B Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof 荆楚理工学院 2023-06-20 CN disclosed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US disclosed
CN-111718381-A Osmium metal organic compound containing polypyridine ligand and preparation method and application thereof 荆楚理工学院 2020-09-29 CN disclosed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN disclosed