SCHEMBL28486147

SCHEMBL28486147

O=C1C2=C(c3cccs3)N(CCCCBr)C(=O)C2=C(c2cccs2)N1CCCCBr

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
NR4A1 P22736 1/20 0.32
HDAC1 Q13547 2/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CAMK2D Q13557 1/20 0.31
BLM P54132 2/20 0.31
NPC1 O15118 1/20 0.31
RAF1 P04049 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL22418729 0.99 FFAR1 (0.34) FFAR1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL15969661 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL12725220 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL20774909 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL14897890 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL18042402 0.84 FFAR1 (0.34) FFAR1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL1277126 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL14816400 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL14723025 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL1277197 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112006983-B Nano self-assembly and preparation method and application thereof 东南大学 2022-03-15 CN claimed
CN-112006983-A Nano self-assembly and preparation method and application thereof 东南大学 2020-12-01 CN claimed
CN-112006983-B Nano self-assembly and preparation method and application thereof 东南大学 2022-03-15 CN disclosed
CN-112006983-A Nano self-assembly and preparation method and application thereof 东南大学 2020-12-01 CN disclosed