SCHEMBL9501917

SCHEMBL9501917

N#C/C(N)=C(C#N)/N=C/c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 10/20 0.46
GABRB2 P47870 10/20 0.46
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GABRB3 P28472 4/20 0.38
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38
GABRQ Q9UN88 3/20 0.38
NR1I2 O75469 1/20 0.36
LMNA P02545 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
SCHEMBL9218195 1.00 GABRA2 (0.46) GABRA2GABRB2GAAMAPTGABRB3
SCHEMBL9501567 0.82 GABRB3 (0.46) GABRA2GABRB2GAAMAPTGABRB3
SCHEMBL9219979 0.82 GABRB3 (0.46) GABRA2GABRB2GAAMAPTGABRB3
SCHEMBL9704278 0.81 GABRA2 (0.41) GABRA2GABRB2GAAMAPTGABRB3
SCHEMBL9704272 0.81 GABRA2 (0.41) GABRA2GABRB2GAAMAPTGABRB3
SCHEMBL9703353 0.80 GAA (0.40) GABRA2GABRB2GAAMAPTGABRB3
SCHEMBL9703357 0.80 GAA (0.40) GABRA2GABRB2GAAMAPTGABRB3
SCHEMBL9218454 0.80 MAPT (0.40) GABRA2GABRB2GAAMAPTGABRB3
SCHEMBL9501521 0.80 MAPT (0.40) GABRA2GABRB2GAAMAPTGABRB3
SCHEMBL9703543 0.79 GAA (0.37) GABRA2GABRB2GAAMAPTGABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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