SCHEMBL28563327

SCHEMBL28563327

O=C(O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.78
▸ BCL2L1 Q07817 2/20 0.78
▸ KDM4E B2RXH2 4/20 0.69
▸ LMNA P02545 2/20 0.69
▸ CDC25B P30305 1/20 0.55
▸ GLA P06280 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HPSE Q9Y251 1/20 0.53
▸ PDE7A Q13946 3/20 0.52
▸ PDE7B Q9NP56 2/20 0.52
▸ VCAM1 P19320 1/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ USP7 Q93009 1/20 0.46
▸ USP47 Q96K76 1/20 0.46
▸ IDO1 P14902 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
SCHEMBL28564817 0.89 KDM4E (0.80) POLBBCL2L1KDM4ELMNACDC25B
SCHEMBL5543562 0.83 POLB (0.84) POLBBCL2L1KDM4ELMNACDC25B
SCHEMBL38652447 0.83 POLB (0.84) POLBBCL2L1KDM4ELMNACDC25B
SCHEMBL28549966 0.83 POLB (0.80) POLBBCL2L1KDM4ELMNACDC25B
SCHEMBL24704031 0.82 KDM4E (1.00) POLBBCL2L1KDM4ELMNACDC25B
SCHEMBL28554342 0.82 KDM4E (0.76) POLBBCL2L1KDM4ELMNACDC25B
SCHEMBL4636875 0.81 PDE7A (0.66) POLBBCL2L1KDM4ELMNAMEN1
SCHEMBL1285789 0.81 VCAM1 (0.74) POLBBCL2L1KDM4ELMNACDC25B
SCHEMBL28559166 0.80 KDM4E (0.69) POLBBCL2L1KDM4ELMNACDC25B
SCHEMBL4002024 0.80 POLB (0.61) POLBBCL2L1KDM4ELMNAMEN1

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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