SCHEMBL29657482

SCHEMBL29657482

CC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HTT P42858 5/20 0.59
KMT2A Q03164 2/20 0.58
GAA P10253 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MAPK1 P28482 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.54
CYP19A1 P11511 1/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.52
DYRK1A Q13627 1/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL4835079 1.00 MAPT (0.66) MAPTNPSR1HTTKMT2AGAA
SCHEMBL10579820 0.86 CXCR1 (0.57) MAPTNPSR1HTTKMT2ASMN1; SMN2
SCHEMBL17287188 0.86 MAPK1 (0.55) MAPTHTTKMT2AGAASMN1; SMN2
SCHEMBL13219020 0.85 ALDH3A1 (0.70) MAPTNPSR1HTTKMT2AGAA
SCHEMBL2282371 0.85 MAPT (0.68) MAPTNPSR1HTTKMT2APOLB
SCHEMBL11637319 0.85 SMN1; SMN2 (0.57) MAPTNPSR1HTTKMT2AGAA
SCHEMBL10902768 0.84 KMT2A (0.57) MAPTNPSR1HTTKMT2AGAA
SCHEMBL1285405 0.83 HTT (0.74) MAPTNPSR1HTTKMT2AGAA
SCHEMBL2131627 0.83 CXCR1 (0.62) MAPTNPSR1HTTKMT2AGAA
SCHEMBL1532370 0.83 MAPT (0.66) MAPTNPSR1HTTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621111-A Mild synthesis method of 4-acetamido-5-nitro-m-xylene 李期林 2022-06-14 CN claimed
CN-113999130-B Preparation method of o-nitroanilide compound 湖北工业大学 2023-09-29 CN disclosed
CN-114621111-A Mild synthesis method of 4-acetamido-5-nitro-m-xylene 李期林 2022-06-14 CN disclosed
CN-114621111-A Mild synthesis method of 4-acetamido-5-nitro-m-xylene 李期林 2022-06-14 CN disclosed