SCHEMBL28463533

SCHEMBL28463533

O=C1c2ccccc2C(=O)c2c(OCCBr)cccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.68
TTR P02766 1/20 0.47
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
DUSP3 P51452 1/20 0.44
ADORA2A P29274 1/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
EGFR P00533 3/20 0.44
PIM1 P11309 1/20 0.44
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
PABPC1 P11940 1/20 0.41
NSD2 O96028 1/20 0.41

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
SCHEMBL28605135 0.92 KCNA3 (0.70) KCNA3TTRMAPTMEN1ALDH1A1
SCHEMBL31495885 0.88 MAPT (0.58) KCNA3MAPTMEN1ALDH1A1KMT2A
SCHEMBL29912844 0.85 KCNA3 (0.60) KCNA3TTRMEN1KMT2AEGFR
SCHEMBL28581642 0.84 MAOA (0.59) KCNA3TTRMAPTMEN1ALDH1A1
SCHEMBL2266343 0.83 KCNA3 (0.68) KCNA3TTRMAPTMEN1ALDH1A1
SCHEMBL11604748 0.83 KCNA3 (0.68) KCNA3TTRMAPTMEN1ALDH1A1
SCHEMBL15471406 0.82 KCNA3 (0.66) KCNA3TTRMAPTMEN1ALDH1A1
SCHEMBL28986871 0.82 KCNA3 (0.70) KCNA3TTRMAPTMEN1ALDH1A1
SCHEMBL15859640 0.82 KCNA3 (0.70) KCNA3TTRMAPTMEN1ALDH1A1
SCHEMBL9445860 0.82 KCNA3 (0.91) KCNA3TTRMAPTMEN1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947910-B Bis-benzimidazole hexafluorophosphate compound and preparation method and application thereof 天津师范大学 2021-07-02 CN claimed
CN-108822130-B Benzimidazole cyclophane and preparation method and application thereof 天津师范大学 2021-03-23 CN claimed
CN-108947910-B Bis-benzimidazole hexafluorophosphate compound and preparation method and application thereof 天津师范大学 2021-07-02 CN disclosed
CN-108822130-B Benzimidazole cyclophane and preparation method and application thereof 天津师范大学 2021-03-23 CN disclosed
CN-108822130-B Benzimidazole cyclophane and preparation method and application thereof 天津师范大学 2021-03-23 CN disclosed
CN-109053689-B Tetrabenzimidazole salt compound and preparation method and application thereof 天津师范大学 2020-09-22 CN disclosed
CN-109053689-B Tetrabenzimidazole salt compound and preparation method and application thereof 天津师范大学 2020-09-22 CN disclosed