SCHEMBL28563175

SCHEMBL28563175

Nc1ccccc1Sc1ccc(CNc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 5/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PDE7A Q13946 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
APEX1 P27695 1/20 0.41
SERPINE1 P05121 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
SCHEMBL28571382 0.90 LMNA (0.54) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28563149 0.89 MAPT (0.58) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28559692 0.84 LMNA (0.61) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28912333 0.82 LMNA (0.65) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28549632 0.82 MAPT (0.53) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28566132 0.77 MAPT (0.53) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28554391 0.76 MAPT (0.64) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL11233436 0.76 KMT2A (0.55) LMNAKDM4EMAPTSMN1; SMN2MEN1
SCHEMBL24704031 0.74 KDM4E (1.00) LMNAKDM4EMAPTPOLBL3MBTL1
SCHEMBL28558521 0.72 KDM4E (0.72) 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