SCHEMBL28554455

SCHEMBL28554455

O=C(Nc1ccccc1C(=O)O)c1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 7/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPY1R P25929 1/20 0.53
MC4R P32245 1/20 0.53
NPY2R P49146 1/20 0.53
GAA P10253 1/20 0.52
HTT P42858 4/20 0.51
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 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
SCHEMBL28558394 0.90 LMNA (0.52) BCL2L1POLBMAPTALDH1A1L3MBTL1
SCHEMBL28549966 0.85 POLB (0.80) BCL2L1POLBMAPTALDH1A1GAA
SCHEMBL13401489 0.84 ALDH1A1 (0.72) MAPTALDH1A1L3MBTL1NPY1RMC4R
SCHEMBL28565202 0.82 MEN1 (0.57) BCL2L1POLBMAPTALDH1A1GAA
SCHEMBL28564799 0.82 BCL2L1 (0.50) BCL2L1POLBMAPTALDH1A1L3MBTL1
SCHEMBL31404880 0.82 SLC25A1 (0.72) BCL2L1POLBMAPTALDH1A1L3MBTL1
SCHEMBL28558521 0.81 KDM4E (0.72) BCL2L1POLBMAPTALDH1A1L3MBTL1
SCHEMBL8306313 0.78 AKR1C2 (0.65) POLBMAPTALDH1A1L3MBTL1NPY1R
SCHEMBL15679879 0.76 MEN1 (0.62) MAPTALDH1A1L3MBTL1NPY1RMC4R
SCHEMBL19334351 0.76 MEN1 (0.59) MAPTALDH1A1L3MBTL1NPY1RMC4R

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