SCHEMBL9709469

SCHEMBL9709469

Cc1ccc(S(=O)(=O)NCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30382536 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EGAAL3MBTL1HTT
SCHEMBL439076 0.80 ALDH1A1 (0.60) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL8575945 0.80 MAPT (0.63) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL8576412 0.75 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL9752036 0.74 L3MBTL1 (0.43) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL4541169 0.73 ALDH1A1 (0.73) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL15869133 0.73 ALDH1A1 (0.64) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL13437955 0.73 MAPT (0.54) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL10087216 0.73 POLB (0.54) ALDH1A1MAPTGLAGAAUSP2
SCHEMBL15896085 0.72 KMT2A (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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-1992016494-A1 LONG CHAIN ANTIVIRAL COMPOUNDS JOHNSON MATTHEY PLC (GB) 1992-10-01 WO disclosed