SCHEMBL8345246

SCHEMBL8345246

O=C(C(=O)C1(c2ccc([N+](=O)[O-])cc2)C=CC=C(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.47
CES2 O00748 2/20 0.47
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
BCHE P06276 1/20 0.36
MAOB P27338 1/20 0.36
BRAF P15056 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1843952 0.73 HPGD (0.40) CES1CES2POLBMAPK1SMN1; SMN2
SCHEMBL6846751 0.72 MAPK1 (0.40) CES1CES2POLBMAPK1SMN1; SMN2
Benzil SCHEMBL27888964 0.68 CES1 (0.96) CES1CES2POLBMAPK1SMN1; SMN2
SCHEMBL1370034 0.67 CES1 (1.00) CES1CES2POLBMAPK1SMN1; SMN2
SCHEMBL16690235 0.63 POLB (0.93) CES1CES2POLBMAPK1ALDH1A1
Cyanide SCHEMBL10981240 0.63 CES1 (0.89) CES1CES2POLBMAPK1SMN1; SMN2
SCHEMBL28792196 0.63 CES1 (0.69) CES1CES2POLBMAPK1SMN1; SMN2
Benzoic Acid SCHEMBL27557362 0.62 TDP1 (0.83) CES1CES2POLBMAPK1ALDH1A1
Benzophenone SCHEMBL27490408 0.62 POLB (0.79) CES1CES2POLBMAPK1ALDH1A1
SCHEMBL28847269 0.61 POLB (0.83) CES1CES2POLBMAPK1ALDH1A1

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
US-5916943-A Method of marking an article BICC PUBLIC LIMITED COMPANY (GB) 1999-06-29 US disclosed