SCHEMBL28756643

SCHEMBL28756643

CC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 4/20 0.60
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
POLB P06746 4/20 0.58
MEN1 O00255 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.55
MAPK1 P28482 2/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 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
Sulfuric Acid SCHEMBL28756501 0.95 L3MBTL1 (0.61) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL11140869 0.88 MEN1 (0.68) L3MBTL1ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL9510244 0.83 MEN1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL2966042 0.81 ALDH1A1 (0.66) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL6789579 0.80 POLB (0.68) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP1A2
Nitric Acid SCHEMBL28756561 0.78 SMN1; SMN2 (0.83) ALDH1A1SMN1; SMN2POLBLMNAMAPT
SCHEMBL11551428 0.78 POLB (0.75) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL11325469 0.78 LMNA (0.83) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP1A2
Acetic Acid SCHEMBL28756645 0.77 POLB (0.69) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP1A2
Acetic Acid SCHEMBL29589279 0.77 POLB (0.69) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP1A2

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-114478262-B Continuous flow high-efficiency production method of 2-amino-4-nitrotoluene 常州大学 2024-01-23 CN claimed
CN-114478262-A Continuous flow efficient production method of 2-amino-4-nitrotoluene 常州大学 2022-05-13 CN claimed
CN-114478262-B Continuous flow high-efficiency production method of 2-amino-4-nitrotoluene 常州大学 2024-01-23 CN disclosed
CN-114478262-A Continuous flow efficient production method of 2-amino-4-nitrotoluene 常州大学 2022-05-13 CN disclosed