SCHEMBL8499229

SCHEMBL8499229

O=[N+]([O-])c1ccccc1-c1cccc(Br)c1.O=[N+]([O-])c1ccccc1-c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GSK3B P49841 1/20 0.45
EIF4E P06730 2/20 0.45
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 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
SCHEMBL2326639 0.91 TDP1 (0.65) ALDH1A1TDP1GSK3BEIF4EHSD11B1
SCHEMBL2331528 0.91 ALDH1A1 (0.65) ALDH1A1TDP1EIF4EGABRA1GABRG2
SCHEMBL30638948 0.85 ALDH1A1 (0.45) ALDH1A1TDP1GSK3BEIF4EGABRA1
SCHEMBL17283633 0.77 TDP1 (0.45) ALDH1A1TDP1EIF4EGABRA1GABRG2
SCHEMBL4142462 0.75 TDP1 (0.75) ALDH1A1TDP1MAPTMAPK1MEN1
SCHEMBL15796866 0.75 ALDH1A1 (0.54) ALDH1A1TDP1EIF4EGABRA1GABRG2
SCHEMBL18158893 0.74 EIF4E (0.55) ALDH1A1TDP1GSK3BEIF4EHSD11B1
SCHEMBL29468118 0.74 ALOX5 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29397674 0.74 ALOX5 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29389647 0.74 ALOX5 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888261-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997033846-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed