SCHEMBL4649697

SCHEMBL4649697

O=[N+]([O-])c1c[c]ccc1-c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 3/20 0.40
EIF4E P06730 1/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S100A4 P26447 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EGFR P00533 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KEAP1 Q14145 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
SCHEMBL14880717 0.84 TSHR (0.47) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27995417 0.82 FBP1 (0.41) TDP1ALDH1A1EIF4EMAPTMEN1
SCHEMBL3540428 0.81 ALDH1A1 (0.61) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2331528 0.80 ALDH1A1 (0.65) TDP1ALDH1A1EIF4ES100A4EGFR
SCHEMBL12472637 0.79 NPC1 (0.50) ALDH1A1EIF4EMAPTMEN1KMT2A
SCHEMBL6806454 0.77 TDP1 (0.46) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5085404 0.77 EIF4E (0.35) TDP1ALDH1A1EIF4EMAPTMEN1
SCHEMBL6800906 0.77 TDP1 (0.38) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL232839 0.73 TDP1 (0.39) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27697298 0.73 EGFR (0.48) TDP1ALDH1A1MAPTEGFRL3MBTL1

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 3 patents. 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
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed