SCHEMBL9504176

SCHEMBL9504176

O=Cc1c[n+]([O-])n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 9/20 0.36
▸ GABRB2 P47870 9/20 0.36
▸ GABRP O00591 7/20 0.36
▸ GABRD O14764 7/20 0.36
▸ GABRA1 P14867 7/20 0.36
▸ GABRB1 P18505 7/20 0.36
▸ GABRG2 P18507 7/20 0.36
▸ GABRB3 P28472 7/20 0.36
▸ GABRA5 P31644 7/20 0.36
▸ GABRA3 P34903 7/20 0.36
▸ GABRA4 P48169 7/20 0.36
▸ GABRE P78334 7/20 0.36
▸ GABRA6 Q16445 7/20 0.36
▸ GABRG1 Q8N1C3 7/20 0.36
▸ GABRG3 Q99928 7/20 0.36
▸ GABRQ Q9UN88 7/20 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
SCHEMBL9502068 0.83 GABRA2 (0.34) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9502057 0.83 GABRA2 (0.34) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9768154 0.79 GABRB3 (0.41) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9500607 0.74 GAA (0.38) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9500601 0.74 GAA (0.38) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9705752 0.71 GABRB3 (0.48) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9213953 0.70 GABRB3 (0.43) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9768055 0.70 GABRB3 (0.40) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9214661 0.69 GABRA2 (0.61) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9703867 0.67 GABRB3 (0.46) GABRA2GABRB2GABRPGABRDGABRA1

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
CN-1025582-C Azole pesticides SCHERING AGROCHEMICALS LTD (GB) 1994-08-10 — — CN 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
CN-1049341-A AZOLE PESTICIDES SCHERING AGROCHEMICALS LTD (GB) 1991-02-20 — — CN disclosed
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