SCHEMBL28859083

SCHEMBL28859083

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 6/20 0.54
TDP1 Q9NUW8 2/20 0.54
APP P05067 1/20 0.54
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNMA1 Q12791 3/20 0.51
VCAM1 P19320 1/20 0.50
PKM P14618 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL28748710 0.83 L3MBTL1 (0.63) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL5522955 0.82 L3MBTL1 (0.58) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL27955187 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL1982270 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL1634259 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL11563326 0.81 TSHR (0.52) L3MBTL1ALDH1A1NPSR1MAPTTDP1
Hydrochloric Acid SCHEMBL3721715 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1NPSR1MAPTTDP1
Hydrochloric Acid SCHEMBL1277707 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL10935716 0.80 ALDH1A1 (0.66) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL11383159 0.79 L3MBTL1 (0.82) L3MBTL1ALDH1A1NPSR1MAPTTDP1

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-112961069-B Preparation method of p-chloro-o-nitro-acetoacetanilide 山东京博生物科技有限公司 2022-08-09 CN disclosed