SCHEMBL9501950

SCHEMBL9501950

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C/C=N\C(C#N)=C(/N)C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.35
GABRA2 P47869 15/20 0.35
GABRB2 P47870 15/20 0.35
GABRP O00591 10/20 0.35
GABRD O14764 10/20 0.35
GABRA1 P14867 10/20 0.35
GABRB1 P18505 10/20 0.35
GABRG2 P18507 10/20 0.35
GABRA5 P31644 10/20 0.35
GABRA3 P34903 10/20 0.35
GABRA4 P48169 10/20 0.35
GABRE P78334 10/20 0.35
GABRA6 Q16445 10/20 0.35
GABRG1 Q8N1C3 10/20 0.35
GABRG3 Q99928 10/20 0.35
GABRQ Q9UN88 10/20 0.35
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9208952 1.00 GABRB3 (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9218561 0.84 GAA (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9501896 0.84 GAA (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9501595 0.82 GABRB3 (0.34) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9215567 0.82 GABRB3 (0.34) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9502907 0.80 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9211530 0.80 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9215522 0.78 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9502899 0.78 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9500624 0.77 GAA (0.40) 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 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