SCHEMBL22181897

SCHEMBL22181897

CC1CC=C2C(=O)N(CCCNC3C=CC(C(=O)c4ccccc4)=CC3C)C(=O)c3cccc1c32

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LPAR2 Q9HBW0 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ACHE P22303 1/20 0.30

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 0.73 DNMT1 (0.40) MEN1KMT2APOLBCASP1ALDH1A1
SCHEMBL22182063 0.72 DNMT1 (0.38) MEN1KMT2APOLBCASP1ALDH1A1
SCHEMBL22181867 0.69 HEXA (0.47) MEN1KMT2APOLBCASP1ALDH1A1
SCHEMBL22181932 0.66 MEN1 (0.43) MEN1KMT2APOLBCASP1ALDH1A1
SCHEMBL22182009 0.64 MEN1 (0.34) MEN1KMT2APOLBCASP1ALDH1A1
SCHEMBL22181927 0.64 MEN1 (0.38) MEN1KMT2APOLBCASP1ALDH1A1
SCHEMBL22181900 0.63 MEN1 (0.39) MEN1KMT2APOLBCASP1ALDH1A1
SCHEMBL18225473 0.59 HPGD (0.52) ALDH1A1HPGD
Benzophenone SCHEMBL3428724 0.56 L3MBTL1 (0.55) ALDH1A1TDP1SMN1; SMN2MAPTHPGD
SCHEMBL28432509 0.55 HPGD (0.56) ALDH1A1HPGD

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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