SCHEMBL9704291

SCHEMBL9704291

COc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C=NC(C#N)=C(N)C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 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
SCHEMBL9704283 1.00 GAA (0.37) GAAKDM4EALDH1A1MAPTGABRA2
SCHEMBL9704312 0.89 GAA (0.35) GAAMAPTGABRA2GABRB2GABRP
SCHEMBL9704317 0.89 GAA (0.35) GAAMAPTGABRA2GABRB2GABRP
SCHEMBL9703543 0.86 GAA (0.37) GAAKDM4EALDH1A1MAPTGABRA2
SCHEMBL9703551 0.86 GAA (0.37) GAAKDM4EALDH1A1MAPTGABRA2
SCHEMBL9501917 0.78 GABRA2 (0.46) GAAMAPTGABRA2GABRB2GABRP
SCHEMBL9218195 0.78 GABRA2 (0.46) GAAMAPTGABRA2GABRB2GABRP
SCHEMBL9704248 0.78 GABRP (0.41) GAAMAPTGABRA2GABRB2GABRP
SCHEMBL9704247 0.78 GABRP (0.41) GAAMAPTGABRA2GABRB2GABRP
SCHEMBL9704466 0.78 GAA (0.35) GAAMAPTGABRA2GABRB2GABRP

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