SCHEMBL9501896

SCHEMBL9501896

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1/C=N/C(C#N)=C(\N)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
GABRB3 P28472 14/20 0.36
GABRA2 P47869 13/20 0.36
GABRB2 P47870 13/20 0.36
GABRP O00591 11/20 0.36
GABRD O14764 11/20 0.36
GABRA1 P14867 11/20 0.36
GABRB1 P18505 11/20 0.36
GABRG2 P18507 11/20 0.36
GABRA5 P31644 11/20 0.36
GABRA3 P34903 11/20 0.36
GABRA4 P48169 11/20 0.36
GABRE P78334 11/20 0.36
GABRA6 Q16445 11/20 0.36
GABRG1 Q8N1C3 11/20 0.36
GABRG3 Q99928 11/20 0.36
GABRQ Q9UN88 11/20 0.36
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9218561 1.00 GAA (0.39) GAAMAPTGABRB3GABRA2GABRB2
SCHEMBL9500624 0.89 GAA (0.40) GAAMAPTGABRB3GABRA2GABRB2
SCHEMBL9216905 0.89 GAA (0.40) GAAMAPTGABRB3GABRA2GABRB2
SCHEMBL9502907 0.88 GABRB3 (0.39) GAAMAPTGABRB3GABRA2GABRB2
SCHEMBL9211530 0.88 GABRB3 (0.39) GAAMAPTGABRB3GABRA2GABRB2
SCHEMBL9216446 0.87 GAA (0.37) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9504201 0.87 GAA (0.37) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9215522 0.85 GABRB3 (0.38) GAAMAPTGABRB3GABRA2GABRB2
SCHEMBL9502899 0.85 GABRB3 (0.38) GAAMAPTGABRB3GABRA2GABRB2
SCHEMBL9501950 0.84 GABRB3 (0.35) GAAMAPTGABRB3GABRA2GABRB2

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
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed