SCHEMBL27612913

SCHEMBL27612913

CC1(C)C=CC(O)=CC1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL28786739 0.78
SCHEMBL27653172 0.64
SCHEMBL29279038 0.62 GAA (0.31) GAAMAPT
SCHEMBL7218331 0.62
SCHEMBL5465193 0.61
SCHEMBL2112009 0.61 MEN1 (0.31) MEN1KMT2A
SCHEMBL28902208 0.61
SCHEMBL28176113 0.59
Nitric Acid SCHEMBL27740183 0.50 GSK3A (0.61) ALDH1A1MAPT
Hydrogen Peroxide SCHEMBL28709584 0.45 MEN1 (0.60) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1566074-A 4-methyl-3-nitrophenols and preparation method thereof SHANGHAI ZILLION CHEMICALS CO (CN) 2005-01-19 CN disclosed