SCHEMBL9706619

SCHEMBL9706619

O=C1c2ccccc2C(=O)c2c(Cl)cccc21.O=c1c2ccccc2sc2ccc(Cl)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S100A4 P26447 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 1/20 0.37
TTR P02766 1/20 0.37
PHOSPHO1 Q8TCT1 1/20 0.37

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
SCHEMBL8153930 1.00 KDM4E (0.68) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL28105000 0.91 KDM4E (0.50) KDM4EALDH1A1NPC1MAPTRAB9A
Anthraquinone SCHEMBL28214347 0.89 KDM4E (0.84) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL9065353 0.82 KDM4E (1.00) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL2341133 0.82 KDM4E (1.00) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL37075 0.82 KDM4E (1.00) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL29359830 0.82 KDM4E (1.00) KDM4EALDH1A1NPC1MAPTRAB9A
Benzene SCHEMBL28210953 0.81 KDM4E (0.96) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL23523711 0.80 KDM4E (0.77) KDM4EALDH1A1NPC1MAPTRAB9A
Tectoquinone SCHEMBL28330542 0.80 KDM4E (0.68) KDM4EALDH1A1NPC1MAPTRAB9A

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
WO-1992010543-A1 HYDROSILATION REACTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-06-25 WO disclosed