SCHEMBL9216623

SCHEMBL9216623

N#CC(N)=C(C#N)N=Cc1cnn(-c2c(F)cc(F)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.31

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
SCHEMBL9501617 1.00 GAA (0.38) GAAMAPTMEN1NPC1ALDH1A1
SCHEMBL9501932 0.81 GAA (0.46) GAAMAPTMEN1NPC1ALDH1A1
SCHEMBL9218040 0.81 GAA (0.46) GAAMAPTMEN1NPC1ALDH1A1
SCHEMBL9216153 0.80 GAA (0.42) GAAMAPTMEN1NPC1ALDH1A1
SCHEMBL9501648 0.80 GAA (0.42) GAAMAPTMEN1NPC1ALDH1A1
SCHEMBL9218454 0.79 MAPT (0.40) GAAMAPTMEN1NPC1ALDH1A1
SCHEMBL9501521 0.79 MAPT (0.40) GAAMAPTMEN1NPC1ALDH1A1
SCHEMBL9500764 0.78 GAA (0.38) GAAMAPTMEN1NPC1ALDH1A1
SCHEMBL9215872 0.78 GAA (0.38) GAAMAPTMEN1NPC1ALDH1A1
SCHEMBL9217450 0.75 ALDH1A1 (0.39) GAAMAPTMEN1NPC1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed