SCHEMBL28559692

SCHEMBL28559692

Nc1ccccc1Sc1ccc(CNc2ccccc2C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPT P10636 5/20 0.53
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PDE7A Q13946 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42

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
SCHEMBL28566132 0.89 MAPT (0.53) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28563175 0.84 LMNA (0.59) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28571382 0.82 LMNA (0.54) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28564799 0.81 BCL2L1 (0.50) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28558521 0.80 KDM4E (0.72) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28563149 0.77 MAPT (0.58) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL24704031 0.76 KDM4E (1.00) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28549632 0.76 MAPT (0.53) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28553432 0.75 BCL2L1 (0.52) MAPTPOLBL3MBTL1PDE7AALDH1A1
SCHEMBL17080274 0.73 LMNA (0.63) LMNAKDM4EMAPTPOLBL3MBTL1

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