SCHEMBL28474115

SCHEMBL28474115

O=Cc1c2ccc-2c1C=O.OBO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PADI4 Q9UM07 1/20 0.36
ERN1 O75460 6/20 0.32
ALDH5A1 P51649 1/20 0.32
ABAT P80404 1/20 0.32
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL2542699 0.83 ALDH1A1 (0.44) MEN1KMT2ATDP1ALDH1A1PADI4
SCHEMBL6849157 0.69 KIF11 (0.40) MEN1KMT2ATDP1ALDH1A1ERN1
Sulfur Dioxide SCHEMBL28559730 0.63 MEN1 (0.46) MEN1KMT2ATDP1ALDH1A1PADI4
SCHEMBL29111409 0.63 ERN1 (0.56) PADI4ERN1ALDH5A1ABAT
SCHEMBL8166485 0.60 ALDH1A1 (0.32) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL11183863 0.60 MEN1 (0.39) MEN1KMT2ATDP1ALDH1A1PADI4
SCHEMBL311198 0.59 ERN1 (0.54) MEN1KMT2ATDP1ALDH1A1PADI4
SCHEMBL489198 0.58 POLB (0.41) ALDH1A1
SCHEMBL16370925 0.58 IDO1 (0.42) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL2374536 0.58 ESR1 (0.30)

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-109206614-B Reagent for detecting sugar chain-containing biomolecule and preparation method and application thereof 大连医科大学 2020-10-16 CN disclosed