SCHEMBL28564817

SCHEMBL28564817

Nc1cc(Cl)ccc1Sc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.80
▸ LMNA P02545 1/20 0.80
▸ POLB P06746 5/20 0.75
▸ BCL2L1 Q07817 2/20 0.75
▸ PDE7A Q13946 5/20 0.59
▸ MAPT P10636 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CDC25B P30305 1/20 0.53
▸ GLA P06280 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HPSE Q9Y251 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ PDE7B Q9NP56 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ NR4A1 P22736 1/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46

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
SCHEMBL28563327 0.89 POLB (0.78) KDM4ELMNAPOLBBCL2L1PDE7A
SCHEMBL24704031 0.89 KDM4E (1.00) KDM4ELMNAPOLBBCL2L1PDE7A
SCHEMBL5543562 0.82 POLB (0.84) KDM4ELMNAPOLBBCL2L1PDE7A
SCHEMBL38652447 0.82 POLB (0.84) KDM4ELMNAPOLBBCL2L1PDE7A
SCHEMBL28563150 0.81 POLB (0.80) KDM4ELMNAPOLBBCL2L1PDE7A
SCHEMBL28554342 0.80 KDM4E (0.76) KDM4ELMNAPOLBBCL2L1MAPT
SCHEMBL28564882 0.80 KDM4E (0.71) KDM4ELMNAPOLBBCL2L1PDE7A
SCHEMBL28549966 0.80 POLB (0.80) KDM4ELMNAPOLBBCL2L1PDE7A
SCHEMBL4636875 0.79 PDE7A (0.66) KDM4ELMNAPOLBBCL2L1PDE7A
SCHEMBL1466534 0.79 KDM4E (0.70) KDM4ELMNAPOLBBCL2L1MAPT

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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