SCHEMBL22181838

SCHEMBL22181838

Nc1ccccc1Cc1ccc(NCCCN2C(=O)c3cccc4cccc(c34)C2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HEXA P06865 3/20 0.34
▸ HEXB P07686 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SIRT1 Q96EB6 3/20 0.33
▸ CLTC Q00610 1/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL22181837 0.83 SIRT1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22182070 0.79 HEXA (0.36) HPGDHEXAHEXBL3MBTL1SIRT1
SCHEMBL22182108 0.77 USP2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22182116 0.75 TP53 (0.44) HPGDLMNAHEXAHEXBSIRT1
SCHEMBL22182014 0.74 HEXA (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22182069 0.72 CA12 (0.37) HPGDKMT2AALDH1A1KDM4EMEN1
SCHEMBL22181876 0.70 SIRT1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22182092 0.69 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8243456 0.67 HDAC8 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22182112 0.67 SIRT1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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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