SCHEMBL28564882

SCHEMBL28564882

Nc1cccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.71
▸ LMNA P02545 1/20 0.71
▸ POLB P06746 4/20 0.70
▸ BCL2L1 Q07817 2/20 0.70
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ PDE7A Q13946 3/20 0.58
▸ MAPT P10636 5/20 0.56
▸ CDC25B P30305 1/20 0.54
▸ GLA P06280 1/20 0.53
▸ HPSE Q9Y251 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PDE7B Q9NP56 1/20 0.45

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 0.90 POLB (0.84) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL5543562 0.90 POLB (0.84) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28563150 0.89 POLB (0.80) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL24704031 0.83 KDM4E (1.00) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28549966 0.83 POLB (0.80) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28564785 0.83 POLB (0.64) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28559698 0.82 POLB (0.63) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28564817 0.80 KDM4E (0.80) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28554342 0.79 KDM4E (0.76) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28564823 0.78 KDM4E (0.65) KDM4ELMNAPOLBBCL2L1MEN1

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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