SCHEMBL28554342

SCHEMBL28554342

O=C(O)c1ccccc1C(=O)c1ccc(Sc2ccccc2F)c([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.76
▸ LMNA P02545 3/20 0.76
▸ POLB P06746 4/20 0.67
▸ BCL2L1 Q07817 2/20 0.67
▸ CDC25B P30305 2/20 0.57
▸ GLA P06280 1/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HPSE Q9Y251 1/20 0.55
▸ MAPT P10636 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ ITGA5 P08648 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ TTR P02766 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ THRB P10828 1/20 0.50

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
SCHEMBL24220373 0.88 KDM4E (0.58) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL24704031 0.86 KDM4E (1.00) KDM4ELMNAPOLBBCL2L1CDC25B
SCHEMBL5543562 0.85 POLB (0.84) KDM4ELMNAPOLBBCL2L1CDC25B
SCHEMBL38652447 0.85 POLB (0.84) KDM4ELMNAPOLBBCL2L1CDC25B
SCHEMBL28574496 0.83 KDM4E (0.71) KDM4ELMNAPOLBBCL2L1CDC25B
SCHEMBL28563327 0.82 POLB (0.78) KDM4ELMNAPOLBBCL2L1CDC25B
SCHEMBL28559166 0.82 KDM4E (0.69) KDM4ELMNAPOLBBCL2L1CDC25B
SCHEMBL4003277 0.81 LMNA (0.68) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28563150 0.81 POLB (0.80) KDM4ELMNAPOLBBCL2L1CDC25B
SCHEMBL28564817 0.80 KDM4E (0.80) KDM4ELMNAPOLBBCL2L1CDC25B

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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