SCHEMBL22181935

SCHEMBL22181935

Nc1cccc2cc(NCCCN3C(=O)c4cccc5cccc3c45)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 2/20 0.46
▸ HPGD P15428 2/20 0.45
▸ UBE2N P61088 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ MPI P34949 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HEXA P06865 3/20 0.43
▸ HEXB P07686 3/20 0.43
▸ HTR7 P34969 6/20 0.43
▸ HTR1A P08908 5/20 0.43
▸ DRD2 P14416 5/20 0.43
▸ HTR2A P28223 5/20 0.43
▸ HTR6 P50406 5/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL22181936 0.92 SIRT1 (0.54) SIRT1HPGDALDH1A1SMN1; SMN2HEXA
SCHEMBL22181934 0.78 SIRT1 (0.55) SIRT1HPGDALDH1A1HEXAHEXB
SCHEMBL22181984 0.77 POLB (0.43) SIRT1HPGDUBE2NALDH1A1CASP1
SCHEMBL22181924 0.77 SIRT1 (0.54) SIRT1HPGDALDH1A1HEXAHEXB
SCHEMBL9720971 0.74 HPGD (0.70) HPGDUBE2NLMNAATML3MBTL1
SCHEMBL22181921 0.74 SIRT1 (0.56) SIRT1ATML3MBTL1ALDH1A1CASP1
SCHEMBL29632727 0.74 SIRT1 (0.56) SIRT1ATML3MBTL1ALDH1A1CASP1
SCHEMBL22181861 0.74 SIRT1 (0.53) SIRT1HPGDALDH1A1HEXAHEXB
SCHEMBL22181854 0.73 SIRT1 (0.57) SIRT1HPGDALDH1A1SMN1; SMN2HEXA
SCHEMBL22181918 0.72 SIRT1 (0.60) SIRT1HPGDATML3MBTL1ALDH1A1

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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