SCHEMBL25843203

SCHEMBL25843203

O=C1/C(=C/c2ccc3c(c2)OCO3)COc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.68
MAOA P21397 2/20 0.68
TDP1 Q9NUW8 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
MIF P14174 1/20 0.65
ACHE P22303 1/20 0.65
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.64
HPGD P15428 1/20 0.64
ATM Q13315 1/20 0.64
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL8461421 0.84 MIF (0.67) MAOBMAOATDP1MEN1KMT2A
SCHEMBL8461418 0.84 MIF (0.67) MAOBMAOATDP1MEN1KMT2A
SCHEMBL5724935 0.83 MIF (0.76) MAOBMAOATDP1MEN1KMT2A
SCHEMBL8546817 0.83 MIF (0.72) MAOBTDP1MEN1KMT2AMIF
SCHEMBL6956078 0.83 MIF (0.72) MAOBTDP1MEN1KMT2AMIF
SCHEMBL31179771 0.81 MAOB (1.00) MAOBMAOATDP1MEN1KMT2A
SCHEMBL29595747 0.81 MAOB (1.00) MAOBMAOATDP1MEN1KMT2A
SCHEMBL979717 0.81 MAOB (1.00) MAOBMAOATDP1MEN1KMT2A
SCHEMBL979718 0.81 MAOB (1.00) MAOBMAOATDP1MEN1KMT2A
SCHEMBL31237283 0.77 DYRK1A (0.62) TDP1MEN1KMT2AMIFALDH1A1

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
EP-4215522-A1 DERIVATIVES OF 4-CHROMONE AS INHIBITORS OF THE RDRP POLYMERASE OF SARS-COV-2 VIRUS AND METHOD FOR THE PREPARATION THEREOF Fondazione Istituto Italiano di Tecnologia (IT) 2023-07-26 EP disclosed