SCHEMBL28554391

SCHEMBL28554391

Nc1ccccc1Sc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
POLB P06746 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 4/20 0.61
KDM4E B2RXH2 2/20 0.61
PDE7A Q13946 2/20 0.51
HCAR3 P49019 1/20 0.51
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL28912333 0.91 LMNA (0.65) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28560080 0.89 MAPT (0.64) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28558521 0.82 KDM4E (0.72) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28571382 0.82 LMNA (0.54) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28566162 0.82 MAPT (0.64) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28565202 0.80 MEN1 (0.57) MAPTPOLBLMNAKDM4EHCAR3
SCHEMBL11957598 0.78 MAPT (0.72) MAPTPOLBPDE7AALDH1A1SMN1; SMN2
SCHEMBL24704031 0.76 KDM4E (1.00) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL28563175 0.76 LMNA (0.59) MAPTPOLBL3MBTL1LMNAKDM4E
SCHEMBL11693391 0.75 ALDH1A1 (0.66) MAPTPOLBLMNAHCAR3ALDH1A1

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