SCHEMBL5085404

SCHEMBL5085404

O=[N+]([O-])c1c[c]c(Cl)cc1-c1cccc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.35
EGFR P00533 2/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAOA P21397 1/20 0.34
COMT P21964 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S100A4 P26447 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL11131985 0.78 MAPK1 (0.43) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL4649697 0.77 TDP1 (0.40) EIF4EEGFRALDH1A1TDP1MAOA
SCHEMBL5085402 0.76 ALDH1A1 (0.39) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL2331528 0.74 ALDH1A1 (0.65) EIF4EEGFRALDH1A1TDP1MAOA
SCHEMBL8499229 0.73 ALDH1A1 (0.54) EIF4EALDH1A1TDP1MEN1KMT2A
SCHEMBL30638948 0.72 ALDH1A1 (0.45) EIF4EALDH1A1TDP1MEN1KMT2A
SCHEMBL3411314 0.70 GABRA1 (0.33) ALDH1A1MAOAMAOBMEN1KMT2A
SCHEMBL4649696 0.70 EIF4E (0.39) EIF4EEGFRALDH1A1TDP1MAOA
SCHEMBL17283633 0.70 TDP1 (0.45) EIF4EEGFRALDH1A1TDP1MAOA
SCHEMBL7228772 0.69 TSHR (0.41) ALDH1A1TDP1LMNAMAPTHPGD

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
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed