SCHEMBL28640309

SCHEMBL28640309

CC(=O)Oc1cccc2[nH]c3ccccc3c(=O)c12.[KH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.67
SLC22A6 Q4U2R8 1/20 0.50
GAA P10253 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
GLA P06280 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GSK3B P49841 2/20 0.46
ADK P55263 2/20 0.46
MAOA P21397 1/20 0.44
POLB P06746 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
BLM P54132 2/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL28235800 0.99 ABCG2 (0.68) ABCG2SLC22A6GAAKDM4EALDH1A1
SCHEMBL28145530 0.97 ABCG2 (0.67) ABCG2SLC22A6GAAKDM4EALDH1A1
SCHEMBL28843912 0.83 ABCG2 (0.63) ABCG2GAAKDM4EALDH1A1HTT
SCHEMBL9352467 0.80 ABCG2 (1.00) ABCG2GAAKDM4EALDH1A1HTT
SCHEMBL4786156 0.76 SLC22A6 (0.55) ABCG2SLC22A6KDM4EALDH1A1HTT
SCHEMBL7071939 0.75 ABCG2 (0.49) ABCG2SLC22A6GAAKDM4ELMNA
SCHEMBL1683978 0.74 KDM4E (0.53) SLC22A6GAAKDM4EALDH1A1HTT
SCHEMBL22445080 0.74 MAOA (0.68) GAAKDM4EALDH1A1HTTGLA
SCHEMBL28112757 0.73 KDM4E (0.49) ABCG2SLC22A6GAAKDM4EALDH1A1
SCHEMBL28621735 0.73 MAPK1 (0.49) SLC22A6GAAKDM4EALDH1A1HTT

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
CN-113410068-B N-potassium acetate acridone modified graphene-based composite material and preparation and application thereof 南京邮电大学 2022-04-22 CN disclosed
CN-113410068-A N-potassium acetate acridone modified graphene-based composite material and preparation and application thereof 南京邮电大学 2021-09-17 CN disclosed