SCHEMBL22182108

SCHEMBL22182108

Nc1ccc(NCCCN2C(=O)c3cccc4cccc(c34)C2O)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ATM Q13315 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ TLR9 Q9NR96 2/20 0.41
▸ RGS12 O14924 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ DYRK3 O43781 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37

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
SCHEMBL22182014 0.85 HEXA (0.36) USP2KMT2AMEN1ATMMAPT
SCHEMBL22181863 0.81 MEN1 (0.58) USP2KMT2AMEN1ATMMAPT
SCHEMBL22181838 0.77 HDAC3 (0.35) KMT2AMEN1L3MBTL1POLBHDAC1
SCHEMBL29632727 0.76 SIRT1 (0.56) USP2KMT2AMEN1ATMMAPT
SCHEMBL22181921 0.76 SIRT1 (0.56) USP2KMT2AMEN1ATMMAPT
SCHEMBL22182070 0.74 HEXA (0.36) MAPTL3MBTL1POLBHEXAHEXB
SCHEMBL22182116 0.70 TP53 (0.44) KMT2AMEN1MAPTPOLBHEXA
SCHEMBL8243456 0.70 HDAC8 (0.65) KMT2AMEN1L3MBTL1HTTHDAC1
SCHEMBL22181920 0.68 SIRT1 (0.61) USP2KMT2AMEN1ATMMAPT
SCHEMBL16213588 0.68 HEXA (0.58) KMT2AMEN1L3MBTL1POLBHEXA

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
WO-2020139291-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES ISTANBUL MEDIPOL UNIVERSITESI (TR) 2020-07-02 — — WO disclosed
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