SCHEMBL7962047

SCHEMBL7962047

COc1cc(Br)cc(C=NNc2nccnc2OC)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.52
MAPT P10636 8/20 0.51
HTT P42858 4/20 0.51
KDM4E B2RXH2 3/20 0.51
PKM P14618 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
KLF5 Q13887 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 4/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7962045 1.00 ERN1 (0.52) ERN1MAPTHTTKDM4EPKM
SCHEMBL7961882 0.77 SMN1; SMN2 (0.53) MAPTHTTKDM4EPKML3MBTL1
SCHEMBL7961879 0.77 SMN1; SMN2 (0.53) MAPTHTTKDM4EPKML3MBTL1
SCHEMBL7961924 0.76 AMY1A (0.51) ERN1MAPTHTTKDM4EPKM
SCHEMBL7961922 0.76 AMY1A (0.51) ERN1MAPTHTTKDM4EPKM
SCHEMBL7960932 0.75 MAPT (0.52) MAPTHTTKDM4EPKML3MBTL1
SCHEMBL7960927 0.75 MAPT (0.52) MAPTHTTKDM4EPKML3MBTL1
SCHEMBL7963239 0.74 HTT (0.64) MAPTHTTKDM4EPKML3MBTL1
SCHEMBL7963233 0.74 HTT (0.64) MAPTHTTKDM4EPKML3MBTL1
SCHEMBL7961929 0.74 KMT2A (0.67) MAPTHTTKDM4EPKML3MBTL1

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