SCHEMBL10732913

SCHEMBL10732913

O=c1c(-c2ccc(OC(F)(F)F)cc2)c[nH]n1-c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 5/20 0.60
EGLN2 Q96KS0 2/20 0.50
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
P4HTM Q9NXG6 2/20 0.46
SLC11A2 P49281 4/20 0.44
GAA P10253 3/20 0.42
NPC1 O15118 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
SCN1A P35498 1/20 0.40
SCN4A P35499 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL10547794 0.88 VHL (0.59) VHLEGLN2P4HTMSLC11A2GAA
SCHEMBL10545898 0.84 VHL (0.77) VHLEGLN2P4HTMSLC11A2GAA
SCHEMBL10547952 0.83 VHL (0.64) VHLEGLN2P4HTMSLC11A2GAA
SCHEMBL10547680 0.83 VHL (0.67) VHLEGLN2P4HTMSLC11A2GAA
SCHEMBL10549163 0.81 VHL (0.59) VHLEGLN2P4HTMSLC11A2GAA
SCHEMBL10546531 0.80 VHL (0.69) VHLEGLN2P4HTMSLC11A2GAA
SCHEMBL3597385 0.79 VHL (0.66) VHLEGLN2P4HTMSLC11A2GAA
SCHEMBL10547972 0.78 SLC11A2 (0.62) VHLEGLN2P4HTMSLC11A2GAA
SCHEMBL563926 0.76 VHL (0.66) VHLEGLN2P4HTMSLC11A2GAA
SCHEMBL3597407 0.75 VHL (1.00) VHLEGLN2P4HTMEGLN1

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
US-4663327-A MICROBIOCIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-05-05 US claimed