SCHEMBL9704820

SCHEMBL9704820

N#CC(N)=C(C#N)N=Cc1ccn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
GABRB3 P28472 5/20 0.32
GABRP O00591 4/20 0.32
GABRD O14764 4/20 0.32
GABRA1 P14867 4/20 0.32
GABRB1 P18505 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32

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
SCHEMBL9704816 1.00 GAA (0.48) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9704591 0.82 GAA (0.42) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9704596 0.82 GAA (0.42) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9219979 0.80 GABRB3 (0.46) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9501567 0.80 GABRB3 (0.46) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL3198314 0.78 GAA (0.50) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL3198319 0.78 GAA (0.50) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9218195 0.77 GABRA2 (0.46) GAAMAPTSMN1; SMN2GABRB3GABRP
SCHEMBL9501917 0.77 GABRA2 (0.46) GAAMAPTSMN1; SMN2GABRB3GABRP
SCHEMBL9226658 0.75 MAPT (0.50) GAAMAPTALDH1A1MEN1NPC1

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