SCHEMBL28509366

SCHEMBL28509366

Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.Nc1ccc2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.80
MAOB P27338 1/20 0.80
ALDH1A1 P00352 8/20 0.70
MAPK1 P28482 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
TDP1 Q9NUW8 4/20 0.70
CYP3A4 P08684 3/20 0.70
TSHR P16473 2/20 0.70
TP53 P04637 1/20 0.70
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
POLB P06746 7/20 0.62
LMNA P02545 3/20 0.62
PTPRC P08575 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
HPGD P15428 3/20 0.62
BLM P54132 3/20 0.62
HTT P42858 2/20 0.62

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
SCHEMBL28314104 0.91 MAOA (0.67) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL28314083 0.91 MAOA (0.67) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL487001 0.89 MAOA (1.00) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL30129869 0.89 MAOA (1.00) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
Bromide SCHEMBL27602610 0.88 MAOA (0.96) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL6046897 0.88 MAOA (0.96) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL28314829 0.85 ALDH1A1 (0.63) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL28313234 0.85 ALDH1A1 (0.84) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
Anthraquinone SCHEMBL23363689 0.84 NPC1 (1.00) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL31290097 0.84 NPC1 (1.00) MAOAMAOBALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112206790-B Preparation method and application of modified pyrite with photocatalytic performance 厦门理工学院 2022-04-22 CN disclosed
CN-112206790-A Preparation method and application of modified pyrite with photocatalytic performance 厦门理工学院 2021-01-12 CN disclosed
CN-110040844-A A kind of preparation method and application of inorganic filler surface grafting anthraquinone compounds 厦门理工学院 2019-07-23 CN disclosed