SCHEMBL28552829

SCHEMBL28552829

O=[N+]([O-])c1cc(Cl)ccc1N=Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
PDE7A Q13946 7/20 0.50
PDE7B Q9NP56 3/20 0.50
KIF18A Q8NI77 1/20 0.49
MAPK1 P28482 3/20 0.46
TSHR P16473 1/20 0.46
APP P05067 1/20 0.45
VCAM1 P19320 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL28233522 1.00 L3MBTL1 (0.51) L3MBTL1CASP3SENP7SENP6PDE7A
SCHEMBL11043093 0.81 TDP1 (0.57) L3MBTL1MAPK1TSHRCYP1A2CYP3A4
SCHEMBL10868309 0.81 TDP1 (0.57) L3MBTL1MAPK1TSHRCYP1A2CYP3A4
SCHEMBL9258245 0.81 MEN1 (0.56) L3MBTL1CASP3SENP7SENP6MAPK1
SCHEMBL12107121 0.80 MAPK1 (0.52) L3MBTL1PDE7APDE7BKIF18AMAPK1
Nitrobenzene SCHEMBL28287913 0.80 ALDH1A1 (0.51) CASP3SENP7SENP6MAPK1TSHR
SCHEMBL1263553 0.80 PLAU (0.53) L3MBTL1MAPK1HPGDCYP1A2NPC1
SCHEMBL1263552 0.80 PLAU (0.53) L3MBTL1MAPK1HPGDCYP1A2NPC1
Charcoal, Activated SCHEMBL5133893 0.78 PLAU (0.51) L3MBTL1MAPK1HPGDCYP1A2NPC1
SCHEMBL29040525 0.78 RAB9A (0.49) L3MBTL1MAPK1NPC1RAB9AMAPT

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-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed