Nitroanilide

Nitroanilide

SCHEMBL28880880

CC=C(C(=O)O)C(=CCC)C(=O)O.O=[N+]([O-])Nc1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 9/20 0.38
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.36
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
GAA P10253 5/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HPGD P15428 1/20 0.32

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
Diphenylamine SCHEMBL28880895 0.82 MAPT (0.47) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
Nitroanilide SCHEMBL2223118 0.75 NAPRT (0.48) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
Nitroanilide SCHEMBL30023228 0.75 NAPRT (0.48) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
Nitroanilide SCHEMBL29876220 0.74 TGM2 (0.48) CYP1A2CYP2C19MAPTALDH1A1SMN1; SMN2
Nitroanilide SCHEMBL6001 0.73 L3MBTL1 (0.50) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
Nitroanilide SCHEMBL5718352 0.73 L3MBTL1 (0.50) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL243912 0.73 EP300 (0.41)
Nitroanilide SCHEMBL29876424 0.72 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
Nitroanilide SCHEMBL28806885 0.72 EPHX1 (0.44) MAPTALDH1A1GAAHTTL3MBTL1
Nitroanilide SCHEMBL27459781 0.71 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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-114975939-A Water-based cathode slurry, cathode pole piece and lithium ion battery 武汉微美新材料科技有限公司 2022-08-30 CN disclosed