SCHEMBL4649696

SCHEMBL4649696

O=[N+]([O-])c1ccc[c]c1-c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
EGFR P00533 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GPR35 Q9HC97 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ACHE P22303 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
SCHEMBL14880715 0.83 TSHR (0.48) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28405351 0.82 TDP1 (0.44) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8138795 0.82 ALDH1A1 (0.45) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4375603 0.80 ALDH1A1 (0.53) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL12472636 0.78 NPC1 (0.51) EIF4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL7499271 0.74 APP (0.42) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2331528 0.74 ALDH1A1 (0.65) EIF4ETDP1EGFRALDH1A1GPR35
SCHEMBL10511751 0.73 GPR35 (0.44) TDP1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL27636988 0.73 TDP1 (0.41) EIF4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL4649697 0.72 TDP1 (0.40) EIF4ETDP1MEN1KMT2AEGFR

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