SCHEMBL8380602

SCHEMBL8380602

Cc1ccc(S(=O)(=O)O)c(CC(C)(C)N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
CASP6 P55212 1/20 0.40
ELAVL1 Q15717 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GHSR Q92847 2/20 0.36
MEP1B Q16820 2/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MYC P01106 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 2/20 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
SCHEMBL30667161 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL658696 0.86 GAA (0.39) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL7627786 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL30457518 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL625779 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL10648574 0.82 KMT2A (0.36) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL10647911 0.82 POLB (0.37) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL1906186 0.81 GAA (0.39) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL1808668 0.81 TAAR1 (0.40) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL25329308 0.81 MEN1 (0.35) ALDH1A1MEN1KMT2AGAAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805142-B1 Cyclopentadiene compound substituted with a hetero atom-containing group DSM NV (NL) 1999-03-24 EP disclosed
EP-0805142-A1 Cyclopentadiene compound substituted with a hetero atom-containing group DSM N.V. (NL) 1997-11-05 EP disclosed