SCHEMBL10680332

SCHEMBL10680332

O=c1cc(C(F)(F)F)c(Br)cn1-c1c(F)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 8/20 0.35
GABRB2 P47870 8/20 0.35
GABRB3 P28472 3/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35

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
SCHEMBL10678734 0.92 GABRA2 (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10679175 0.90 ALKBH5 (0.32)
SCHEMBL10681975 0.87 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10676174 0.87 GABRA2 (0.37) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9592432 0.82 GABRA2 (0.33) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9581399 0.82 GABRB3 (0.35) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10682416 0.81 GABRA2 (0.33) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10678467 0.80 GABRB3 (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10681191 0.79 GABRA2 (0.35) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10681737 0.79 GABRA2 (0.37) GABRA2GABRB2GABRB3GABRPGABRD

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
EP-0216541-A1 Aryl pyridones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-01 EP claimed
US-4725607-A MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-16 US disclosed
EP-0216541-A1 Aryl pyridones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-01 EP disclosed