SCHEMBL30668590

SCHEMBL30668590

O=C(/C=C/I)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
KDM4E B2RXH2 4/20 0.66
NPC1 O15118 4/20 0.66
PKM P14618 4/20 0.66
RAB9A P51151 4/20 0.66
LMNA P02545 3/20 0.66
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
GPR52 Q9Y2T5 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.55
NAPRT Q6XQN6 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
MITF O75030 2/20 0.54
TP53 P04637 2/20 0.54
KRAS P01116 1/20 0.50
PLIN1 O60240 1/20 0.49

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
SCHEMBL22462223 1.00 MAPT (0.66) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL19787945 0.82 MAPT (0.64) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL10950293 0.82 MAPT (0.64) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL11334864 0.82 MAPT (0.69) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL10950289 0.82 MAPT (0.64) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL11334868 0.82 MAPT (0.69) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL30208792 0.82 MAPT (0.64) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL12257967 0.81 MAPT (0.90) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL22511009 0.81 KDM4E (0.72) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL976728 0.81 KDM4E (0.72) MAPTKDM4ENPC1PKMRAB9A

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
CN-111748550-B Method for labeling nucleic acid 国立大学法人九州大学 2023-11-24 CN disclosed