SCHEMBL22182103

SCHEMBL22182103

CC1CC=C2C(=O)N(CCCNc3ccc(C(=O)c4ccccc4N)cc3)C(=O)c3cccc1c32

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.40
▸ DNMT3L Q9UJW3 1/20 0.40
▸ DNMT3A Q9Y6K1 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PABPC1 P11940 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ GCGR P47871 1/20 0.34
▸ HDAC3 O15379 5/20 0.34
▸ HDAC1 Q13547 5/20 0.34
▸ HDAC2 Q92769 5/20 0.34
▸ HDAC4 P56524 2/20 0.34

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
SCHEMBL22182063 0.85 DNMT1 (0.38) DNMT1DNMT3LDNMT3AMEN1KMT2A
SCHEMBL22182009 0.85 MEN1 (0.34) DNMT1DNMT3LDNMT3AMEN1KMT2A
SCHEMBL22182092 0.79 HDAC3 (0.52) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL22181900 0.75 MEN1 (0.39) DNMT1DNMT3LDNMT3AMEN1KMT2A
SCHEMBL22181927 0.74 MEN1 (0.38) DNMT1DNMT3LDNMT3AMEN1KMT2A
SCHEMBL22181897 0.73 MEN1 (0.33) MEN1KMT2APOLBCASP1MAPT
SCHEMBL22181867 0.72 HEXA (0.47) MEN1KMT2APOLBCASP1MAPT
SCHEMBL22182021 0.70 HDAC3 (0.50) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL22181998 0.67 SIRT1 (0.53) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL22181899 0.67 MEN1 (0.56) 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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