SCHEMBL28566162

SCHEMBL28566162

COC(=O)c1ccc(NC(=O)c2ccc(Sc3ccccc3N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
POLB P06746 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 5/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PDE7A Q13946 2/20 0.51
HTT P42858 1/20 0.50
AURKB Q96GD4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 3/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL28560080 0.91 MAPT (0.64) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28912333 0.89 LMNA (0.65) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28563149 0.83 MAPT (0.58) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28554391 0.82 MAPT (0.64) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28912936 0.81 MAPT (0.55) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28558521 0.78 KDM4E (0.72) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL16430875 0.77 MAPT (0.58) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL30610315 0.77 MAPT (0.58) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL1455940 0.76 ALDH1A1 (0.55) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28549632 0.76 MAPT (0.53) 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