SCHEMBL9704905

SCHEMBL9704905

N#CC(N)=C(C#N)N=CC=NN(Cl)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE2A O00408 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL9768338 0.77 PDE2A (0.38) MAPTGAAALDH1A1PDE2A
SCHEMBL9226661 0.76 MAPT (0.50) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9226658 0.76 MAPT (0.50) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9704767 0.73 PDE2A (0.37) MAPTGAAALDH1A1PDE2AMEN1
SCHEMBL9704898 0.73 GAA (0.39) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9704909 0.73 GAA (0.39) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL5744940 0.72 MRGPRX4 (0.37) ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL3198319 0.71 GAA (0.50) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL3198314 0.71 GAA (0.50) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL6258555 0.70 PDE2A (0.39) MAPTGAAALDH1A1HTTSMN1; SMN2

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