SCHEMBL9217797

SCHEMBL9217797

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.38
CBFB Q13951 1/20 0.36
PTGES O14684 8/20 0.36
ENPP1 P22413 2/20 0.35
ENPP3 O14638 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSP90AA1 P07900 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32

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
SCHEMBL9218751 0.86 NPBWR1 (0.39) NPBWR1CBFBPTGESALDH1A1HTT
SCHEMBL9704101 0.80 NPBWR1 (0.38) NPBWR1CBFBPTGESALDH1A1KMT2A
SCHEMBL9217849 0.76 ALDH1A1 (0.42) NPBWR1CBFBALDH1A1HTTKMT2A
SCHEMBL9705705 0.76 GABRA2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9705646 0.75 CDK4 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9218118 0.74 NPBWR1 (0.37) NPBWR1CBFBPTGESALDH1A1HTT
SCHEMBL9223795 0.73 NPBWR1 (0.39) NPBWR1CBFBNPSR1GABRPGABRD
SCHEMBL9217796 0.73 NPBWR1 (0.36) NPBWR1CBFBALDH1A1TDP1L3MBTL1
SCHEMBL16123430 0.73 CBFB (0.38) NPBWR1CBFBALDH1A1HTTKMT2A
SCHEMBL9704097 0.72 ALDH1A1 (0.44) ALDH1A1HTTKMT2ANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380865-A Halogen substituents MAY & BAKER LIMITED (GB) 1995-01-10 US claimed
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