SCHEMBL24327491

SCHEMBL24327491

O=C1C(Cl)=C(NCc2ccccc2OCc2ccccc2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ THRB P10828 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ STAT3 P40763 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAOB P27338 1/20 0.42

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
SCHEMBL24327928 0.81 HKDC1 (0.49) LMNAMAPTTHRBL3MBTL1KDM4E
SCHEMBL4346341 0.74 GAA (0.70) GAALMNAMAPTTHRBL3MBTL1
SCHEMBL24328014 0.71 OXTR (0.42) LMNAMAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL4347137 0.71 GAA (0.69) GAALMNAMAPTTHRBL3MBTL1
SCHEMBL17653296 0.71 GAA (1.00) GAALMNAMAPTTHRBL3MBTL1
SCHEMBL4359794 0.71 GAA (0.57) GAALMNAMAPTTHRBL3MBTL1
SCHEMBL4345493 0.70 GAA (0.60) GAALMNAMAPTTHRBL3MBTL1
SCHEMBL4347345 0.69 GAA (0.67) GAALMNAMAPTTHRBL3MBTL1
SCHEMBL4348998 0.69 MAPT (0.70) GAALMNAMAPTTHRBL3MBTL1
SCHEMBL24327531 0.69 MAPT (0.47) GAAMAPTL3MBTL1MEN1ALDH1A1

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
WO-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 — — WO disclosed
Send feedback