SCHEMBL9218751

SCHEMBL9218751

FC(F)(F)c1cc(Cl)c(-c2nc(Br)c(Br)[nH]2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.39
CBFB Q13951 1/20 0.37
GABRB3 P28472 7/20 0.35
GABRA2 P47869 6/20 0.35
GABRB2 P47870 6/20 0.35
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA4 P48169 3/20 0.35
GABRE P78334 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRG1 Q8N1C3 3/20 0.35
GABRG3 Q99928 3/20 0.35
GABRQ Q9UN88 3/20 0.35
PTGES O14684 3/20 0.34
CDK4 P11802 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
SCHEMBL9217797 0.86 NPBWR1 (0.38) NPBWR1CBFBGABRB3GABRA2GABRB2
SCHEMBL9218118 0.81 NPBWR1 (0.37) NPBWR1CBFBGABRB3GABRA2GABRB2
SCHEMBL9704101 0.81 NPBWR1 (0.38) NPBWR1CBFBPTGESCDK4CCND1
SCHEMBL11244118 0.79 CBFB (0.34) NPBWR1CBFBPTGESSMN1; SMN2
SCHEMBL9222229 0.79 ALDH1A1 (0.41) NPBWR1CBFBCDK4CCND1MEN1
SCHEMBL11252508 0.77 NPBWR1 (0.35) NPBWR1CDK4CCND1HTTHSD17B10
SCHEMBL9208961 0.76 GABRA2 (0.36) CBFBGABRB3GABRA2GABRB2GABRP
SCHEMBL9223795 0.74 NPBWR1 (0.39) NPBWR1CBFBGABRB3GABRA2GABRB2
SCHEMBL9217796 0.74 NPBWR1 (0.36) NPBWR1CBFBGABRB3GABRA2GABRB2
SCHEMBL9704097 0.73 ALDH1A1 (0.44) GABRB3GABRA2GABRB2GABRPGABRD

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
US-5380865-A Halogen substituents MAY & BAKER LIMITED (GB) 1995-01-10 US disclosed
US-5206257-A Controlling plant nematodes, helminth, protozoa MAY & BAKER LIMITED (GB) 1993-04-27 US disclosed
EP-0283173-A1 Pesticidal method using 2-phenylimidazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-09-21 EP disclosed