SCHEMBL22182009

SCHEMBL22182009

CNC(=O)c1cc(-c2ccc(NCCCN3C(=O)C4=CCC(C)c5cccc(c54)C3=O)cc2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ DNMT3L Q9UJW3 1/20 0.34
▸ DNMT3A Q9Y6K1 1/20 0.34
▸ HTR4 Q13639 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ PABPC1 P11940 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RPS6KA2 Q15349 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 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
SCHEMBL22182103 0.85 DNMT1 (0.40) MEN1KMT2APOLBCASP1DNMT1
SCHEMBL22181891 0.81 CYP1A2 (0.46) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL22181927 0.79 MEN1 (0.38) MEN1KMT2APOLBCASP1DNMT1
SCHEMBL22182063 0.77 DNMT1 (0.38) MEN1KMT2APOLBCASP1DNMT1
SCHEMBL22181900 0.75 MEN1 (0.39) MEN1KMT2APOLBCASP1DNMT1
SCHEMBL22181986 0.71 SIRT1 (0.47) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL22181889 0.71 LPAR2 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL22181867 0.70 HEXA (0.47) MEN1KMT2APOLBCASP1MAPT
SCHEMBL22181984 0.69 POLB (0.43) KMT2APOLBCASP1MAPTKDM4E
SCHEMBL22181861 0.68 SIRT1 (0.53) MEN1KMT2APOLBMAPTKDM4E

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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