SCHEMBL22015656

SCHEMBL22015656

O=S(=O)([O-])CCC[n+]1cc(-c2ncccn2)sn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL21963669 0.91 PABPC1 (0.31) PABPC1EIF4HCTDSP1
SCHEMBL22014601 0.82
SCHEMBL21963680 0.82
SCHEMBL22015898 0.79 PABPC1 (0.35) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL22014609 0.76
SCHEMBL22015230 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL22014908 0.74
SCHEMBL22014911 0.72 FDPS (0.33) ALDH1A1
SCHEMBL21963674 0.72
Hydrochloric Acid SCHEMBL21963932 0.70 ALDH1A1 (0.34) ALDH1A1KDM4EPOLBL3MBTL1

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-2020099407-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed