SCHEMBL22181932

SCHEMBL22181932

CC1CC=C2C(=O)N(CCCNc3ccc4ccccc4c3N=O)C(=O)c3cccc1c32

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HEXA P06865 1/20 0.35
▸ HEXB P07686 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL22181933 0.81 SIRT1 (0.54) MEN1KMT2APOLBCASP1MAPT
SCHEMBL22181867 0.80 HEXA (0.47) MEN1KMT2APOLBCASP1MAPT
SCHEMBL22182103 0.71 DNMT1 (0.40) MEN1KMT2APOLBCASP1MAPT
SCHEMBL22181927 0.69 MEN1 (0.38) MEN1KMT2APOLBCASP1MAPT
SCHEMBL22182063 0.69 DNMT1 (0.38) MEN1KMT2APOLBCASP1MAPT
SCHEMBL22181900 0.69 MEN1 (0.39) MEN1KMT2APOLBCASP1MAPT
SCHEMBL22181920 0.68 SIRT1 (0.61) MEN1KMT2APOLBCASP1MAPT
SCHEMBL11076680 0.67 CNR1 (0.49) MEN1KMT2APOLBMAPTHTT
SCHEMBL22181840 0.65 SIRT1 (0.57) MEN1KMT2APOLBMAPTHTT
SCHEMBL1672292 0.64 MEN1 (0.58) MEN1KMT2APOLBCASP1MAPT

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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