SCHEMBL22015898

SCHEMBL22015898

O=S(=O)([O-])CCC[n+]1cc(-c2ncco2)sn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.35
EIF4H Q15056 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
HPGD P15428 2/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL21964020 0.92 LTA4H (0.30)
SCHEMBL22015896 0.84
SCHEMBL22015656 0.79 PABPC1 (0.38) PABPC1EIF4HCTDSP1MAPTALDH1A1
SCHEMBL22015895 0.79 LTA4H (0.31)
SCHEMBL22015056 0.76 LTA4H (0.37)
SCHEMBL21408724 0.72 PABPC1 (0.33) PABPC1EIF4HCTDSP1MAPTALDH1A1
SCHEMBL21963669 0.70 PABPC1 (0.31) PABPC1EIF4HCTDSP1
SCHEMBL21431582 0.69 HPGDS (0.33) PABPC1EIF4HCTDSP1
SCHEMBL22020525 0.63 L3MBTL1 (0.37) PABPC1EIF4HCTDSP1MAPTALDH1A1
SCHEMBL21963680 0.60

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-2020099404-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed