SCHEMBL28563149

SCHEMBL28563149

COC(=O)c1ccc(NCc2ccc(Sc3ccccc3N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 4/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
PDE7A Q13946 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
HDAC1 Q13547 2/20 0.44
HIF1A Q16665 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL28549632 0.91 MAPT (0.53) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28563175 0.89 LMNA (0.59) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28566132 0.85 MAPT (0.53) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28566162 0.83 MAPT (0.64) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28571382 0.82 LMNA (0.54) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28912936 0.79 MAPT (0.55) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28559692 0.77 LMNA (0.61) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28553690 0.77 CA1 (0.55) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL28560080 0.77 MAPT (0.64) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL16430875 0.72 MAPT (0.58) MAPTPOLBL3MBTL1LMNAKDM4E

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