SCHEMBL13469360

SCHEMBL13469360

CCc1ccccc1S(=O)(=O)NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CTSB P07858 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PARG Q86W56 1/20 0.43
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL8245105 0.85 ALDH1A1 (0.51) L3MBTL1MAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL1018177 0.83 ALDH1A1 (0.50) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL13468496 0.79 ALDH1A1 (0.56) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL8252289 0.78 ALDH1A1 (0.59) L3MBTL1MAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL5003648 0.76 ALDH1A1 (0.57) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL10878050 0.76 CTSB (0.49) L3MBTL1ALDH1A1CTSBKMT2AMEN1
SCHEMBL15915182 0.75 MAPT (0.87) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL6216811 0.75 MAPT (0.56) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL9827835 0.75 MAPT (0.60) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL12077114 0.75 PSEN1 (0.60) L3MBTL1MAPTALDH1A1KMT2AMEN1

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-2012139891-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed