SCHEMBL22182070

SCHEMBL22182070

NS(=O)(=O)CCNc1ccc(-c2ccc(NCCCN3C(=O)c4cccc5cccc(c45)C3O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 4/20 0.36
▸ HEXB P07686 4/20 0.36
▸ SIRT1 Q96EB6 3/20 0.35
▸ LPAR2 Q9HBW0 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ OGA O60502 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL22182069 0.92 CA12 (0.37) LPAR2POLBCA12CA1CA2
SCHEMBL22182093 0.81 SIRT1 (0.54) HEXAHEXBSIRT1LPAR2POLB
SCHEMBL22181838 0.79 HDAC3 (0.35) HEXAHEXBSIRT1POLBOGA
SCHEMBL22182116 0.77 TP53 (0.44) HEXAHEXBSIRT1POLBALDH1A1
SCHEMBL22182014 0.76 HEXA (0.36) HEXAHEXBSIRT1POLBOGA
SCHEMBL22182076 0.76 ALDH1A1 (0.48) HEXAHEXBSIRT1LPAR2POLB
SCHEMBL22182108 0.74 USP2 (0.41) HEXAHEXBSIRT1POLBOGA
SCHEMBL22182098 0.69 SIRT1 (0.57) HEXAHEXBSIRT1LPAR2POLB
SCHEMBL22181854 0.69 SIRT1 (0.57) HEXAHEXBSIRT1POLBOGA
SCHEMBL22181859 0.69 HEXA (0.63) HEXAHEXBSIRT1POLBOGA

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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