SCHEMBL9704909

SCHEMBL9704909

N#CC(N)=C(C#N)N=CC=NNc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRK1 P41145 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RPS6KA3 P51812 1/20 0.33
JAK3 P52333 1/20 0.33
PLAU P00749 1/20 0.31
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HBB P68871 1/20 0.30

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
SCHEMBL9704898 1.00 GAA (0.39) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3198319 0.77 GAA (0.50) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3198314 0.77 GAA (0.50) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL9768331 0.75 KDM4E (0.35) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL9768328 0.75 KDM4E (0.35) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL9704905 0.73 MAPT (0.39) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL9226658 0.72 MAPT (0.50) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL9226661 0.72 MAPT (0.50) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL9704756 0.70 KDM4E (0.36) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL9704751 0.70 KDM4E (0.36) GAAMAPTALDH1A1HTTKDM4E

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