SCHEMBL9219609

SCHEMBL9219609

OCc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1Br

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.48
GABRA2 P47869 11/20 0.48
GABRB2 P47870 11/20 0.48
GABRP O00591 5/20 0.44
GABRD O14764 5/20 0.44
GABRA1 P14867 5/20 0.44
GABRB1 P18505 5/20 0.44
GABRG2 P18507 5/20 0.44
GABRA5 P31644 5/20 0.44
GABRA3 P34903 5/20 0.44
GABRA4 P48169 5/20 0.44
GABRE P78334 5/20 0.44
GABRA6 Q16445 5/20 0.44
GABRG1 Q8N1C3 5/20 0.44
GABRG3 Q99928 5/20 0.44
GABRQ Q9UN88 5/20 0.44
ACHE P22303 1/20 0.39

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
SCHEMBL22042180 0.86 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704455 0.82 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9703352 0.81 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL27256879 0.79 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10769810 0.77 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10495838 0.77 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9210821 0.77 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10548001 0.75 TDP1 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7691660 0.75 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10544532 0.75 GABRB3 (0.41) 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
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed