SCHEMBL7962191

SCHEMBL7962191

COc1cc(O)c(C=NNc2nccnc2OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.47
MAPT P10636 11/20 0.47
RAB9A P51151 10/20 0.47
PKM P14618 7/20 0.47
ERN1 O75460 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.41
KDM4E B2RXH2 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KLF5 Q13887 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 6/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL7962186 1.00 GAA (0.47) GAAMAPTRAB9APKMERN1
SCHEMBL7963150 0.79 GAA (0.57) GAAMAPTRAB9APKMSMN1; SMN2
SCHEMBL7963156 0.79 GAA (0.57) GAAMAPTRAB9APKMSMN1; SMN2
SCHEMBL7961926 0.75 KMT2A (0.67) GAAMAPTRAB9APKMSMN1; SMN2
SCHEMBL7961929 0.75 KMT2A (0.67) GAAMAPTRAB9APKMSMN1; SMN2
SCHEMBL7961922 0.75 AMY1A (0.51) GAAMAPTRAB9APKMERN1
SCHEMBL7961924 0.75 AMY1A (0.51) GAAMAPTRAB9APKMERN1
SCHEMBL11530354 0.74 ERN1 (0.64) ERN1SMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL11530351 0.74 ERN1 (0.64) ERN1SMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL7962045 0.72 ERN1 (0.52) GAAMAPTRAB9APKMERN1

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-6329378-B1 HETEROCYCLIC FUNGICIDES AND ANTIGROWTH AGENTS ANADYS PHARMACEUTICALS, INC. 2001-12-11 US claimed