SCHEMBL9704872

SCHEMBL9704872

COC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Cl)c1/C=N/C(C#N)=C(\N)C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 11/20 0.44
GABRD O14764 11/20 0.44
GABRA1 P14867 11/20 0.44
GABRB1 P18505 11/20 0.44
GABRG2 P18507 11/20 0.44
GABRB3 P28472 11/20 0.44
GABRA5 P31644 11/20 0.44
GABRA3 P34903 11/20 0.44
GABRA2 P47869 11/20 0.44
GABRB2 P47870 11/20 0.44
GABRA4 P48169 11/20 0.44
GABRE P78334 11/20 0.44
GABRA6 Q16445 11/20 0.44
GABRG1 Q8N1C3 11/20 0.44
GABRG3 Q99928 11/20 0.44
GABRQ Q9UN88 11/20 0.44
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.37

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
SCHEMBL9704876 1.00 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9704292 0.91 GABRB3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9704300 0.91 GABRB3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5245692 0.84 LMNA (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3191209 0.84 LMNA (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9502977 0.83 GABRA2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9502983 0.83 GABRA2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9704854 0.81 GABRB3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9218268 0.79 GABRB3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9218260 0.79 GABRB3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed