SCHEMBL28896384

SCHEMBL28896384

O=C(OCc1cc(F)ccc1F)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.59
MMP12 P39900 2/20 0.59
MMP1 P03956 1/20 0.59
MMP9 P14780 1/20 0.59
TDP1 Q9NUW8 3/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
PPARG P37231 1/20 0.51
LMNA P02545 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48

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
SCHEMBL27997320 0.83 KMT2A (0.57) MMP2MMP12MMP1MMP9TDP1
SCHEMBL6664565 0.79 MAOB (0.57) MMP2MMP12MMP1MMP9TDP1
SCHEMBL5085480 0.77 PPARG (0.71) TDP1SLC6A2SLC6A3KMT2APPARG
SCHEMBL13034155 0.77 MMP2 (0.54) MMP2MMP12MMP1MMP9LMNA
SCHEMBL28117924 0.76 KMT2A (0.69) MMP2MMP12MMP1MMP9TDP1
SCHEMBL28895934 0.76 KMT2A (0.68) MMP2MMP12MMP1MMP9TDP1
SCHEMBL6667180 0.74 PPARG (0.58) TDP1SLC6A2SLC6A3KMT2APPARG
SCHEMBL10611790 0.74 KMT2A (0.56) TDP1SLC6A2SLC6A3KMT2APPARG
SCHEMBL29083309 0.74 TDP1 (0.56) MMP2MMP12MMP1MMP9TDP1
SCHEMBL28758278 0.74 KMT2A (0.66) TDP1SLC6A2SLC6A3KMT2APPARG

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-111995567-B Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof 浙江工业大学 2022-11-25 CN disclosed