SCHEMBL9682464

SCHEMBL9682464

O=c1cnc(C(F)(F)F)cn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.43
GABRB2 P47870 6/20 0.43
GABRB3 P28472 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
ALDH1A1 P00352 2/20 0.38
ACHE P22303 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9681975 0.87 GAA (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9683852 0.86 TDP1 (0.46) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9683010 0.83 ALDH1A1 (0.49) ALDH1A1MAPTHTTKMT2A
SCHEMBL10679118 0.78 GABRA2 (0.43) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9723106 0.78 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10678078 0.75 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9681941 0.74 TDP1 (0.47) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9684212 0.74 GAA (0.33) ALDH1A1
SCHEMBL10678734 0.72 GABRA2 (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9339490 0.71 GABRA2 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3048667-A None JP disclosed
US-5079251-A Insecticides, pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-07 US disclosed
JP-H0348667-A PYRAZINONE DERIVATIVE, PREPARATION THEREOF, INSECTICIDAL AND ACARICIDAL COMPOSITION AND METHOD OF KILLING INSECT AND ACARINE IMPERIAL CHEM IND PLC <ICI> 1991-03-01 JP disclosed
EP-0408196-A2 Pyrazinone derivatives as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-16 EP disclosed