SCHEMBL28573288

SCHEMBL28573288

CCOc1cc(O)cc(O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
MEN1 O00255 5/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 4/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL28589207 0.91 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTKDM4C
SCHEMBL68918 0.81 MAPT (0.45) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL10898948 0.78 GRIN2D (0.43) KMT2AMEN1ALDH1A1MAPTKDM4C
SCHEMBL27765514 0.77 GPR35 (0.51) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL231446 0.75 GPR35 (0.45) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL5691490 0.75 MAPT (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL9694476 0.75 GRIN2D (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL30454482 0.74 CA1 (0.41) KMT2AMEN1ALDH1A1MAPTKDM4C
SCHEMBL10542203 0.73 MAPT (0.57) KMT2AMEN1ALDH1A1MAPTKDM4C
SCHEMBL14626894 0.72 ALOX5 (0.43) ALDH1A1MAPTLMNAGRIN2DGRIN3B

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-112320766-B Preparation method and application of hollow mesoporous inorganic oxide nanosphere solid alkali 西南大学 2023-10-27 CN disclosed
CN-112320766-A Preparation method and application of hollow mesoporous inorganic oxide nanosphere solid base 西南大学 2021-02-05 CN disclosed