SCHEMBL28557350

SCHEMBL28557350

CCN(CC)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.67
▸ LMNA P02545 2/20 0.67
▸ POLB P06746 4/20 0.62
▸ BCL2L1 Q07817 2/20 0.62
▸ GLA P06280 1/20 0.57
▸ CDC25B P30305 1/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HPSE Q9Y251 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ HTT P42858 1/20 0.44

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
SCHEMBL38652447 0.82 POLB (0.84) KDM4ELMNAPOLBBCL2L1GLA
SCHEMBL5543562 0.82 POLB (0.84) KDM4ELMNAPOLBBCL2L1GLA
SCHEMBL28559166 0.81 KDM4E (0.69) KDM4ELMNAPOLBBCL2L1GLA
SCHEMBL24704031 0.80 KDM4E (1.00) KDM4ELMNAPOLBBCL2L1GLA
SCHEMBL28554342 0.80 KDM4E (0.76) KDM4ELMNAPOLBBCL2L1GLA
SCHEMBL28574496 0.80 KDM4E (0.71) KDM4ELMNAPOLBBCL2L1GLA
SCHEMBL28559246 0.79 KDM4E (0.67) KDM4ELMNAPOLBBCL2L1GLA
SCHEMBL28563327 0.78 POLB (0.78) KDM4ELMNAPOLBBCL2L1GLA
SCHEMBL28564823 0.77 KDM4E (0.65) KDM4ELMNAPOLBBCL2L1GLA
SCHEMBL28563150 0.77 POLB (0.80) KDM4ELMNAPOLBBCL2L1GLA

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
CN-112638909-A Compounds with antibacterial activity 香港理工大学 2021-04-09 — — CN disclosed
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