SCHEMBL28564799

SCHEMBL28564799

O=C(O)c1ccccc1NCc1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.50
POLB P06746 2/20 0.50
SLC25A1 P53007 1/20 0.45
SERPINE1 P05121 1/20 0.45
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL28553432 0.92 BCL2L1 (0.52) BCL2L1POLBMAPTALDH1A1L3MBTL1
SCHEMBL28549957 0.90 ALDH1A1 (0.44) BCL2L1POLBMAPTMEN1KMT2A
SCHEMBL28912942 0.90 SERPINE1 (0.49) BCL2L1POLBSERPINE1MAPTMEN1
SCHEMBL28549953 0.88 BCL2L1 (0.43) BCL2L1POLBSERPINE1MAPTMEN1
SCHEMBL28559107 0.85 KMT2A (0.48) BCL2L1POLBSERPINE1MAPTMEN1
SCHEMBL28556987 0.85 POLB (0.44) BCL2L1POLBSERPINE1MAPTMEN1
SCHEMBL28557212 0.83 MAPT (0.42) BCL2L1MAPTMEN1KMT2AALDH1A1
SCHEMBL28566300 0.82 MEN1 (0.43) BCL2L1POLBSERPINE1MAPTMEN1
SCHEMBL28563208 0.82 MAPT (0.44) BCL2L1POLBSERPINE1MAPTMEN1
SCHEMBL28559692 0.81 LMNA (0.61) POLBMAPTMEN1KMT2AGAA

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