SCHEMBL29660937

SCHEMBL29660937

COc1ccccc1CNS(=O)(=O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.72
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
LMNA P02545 1/20 0.68
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
HTT P42858 1/20 0.63
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.57
PKM P14618 1/20 0.56

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
SCHEMBL4661701 1.00 GAA (0.72) GAAKMT2AMEN1LMNAKDM4E
SCHEMBL12793682 0.89 GAA (0.71) GAAKMT2AMEN1LMNAKDM4E
SCHEMBL5466124 0.88 LMNA (0.70) GAAKMT2AMEN1LMNAKDM4E
SCHEMBL13712057 0.86 GAA (0.67) GAAKMT2AMEN1LMNAKDM4E
SCHEMBL6607377 0.85 GAA (0.62) GAAKMT2AMEN1LMNAKDM4E
SCHEMBL9812951 0.84 GAA (0.69) GAAKMT2AMEN1LMNAPOLB
SCHEMBL28279207 0.84 TP53 (0.67) GAAKMT2AMEN1LMNAKDM4E
SCHEMBL5597888 0.83 GAA (0.71) GAAKMT2AMEN1LMNAKDM4E
SCHEMBL5466121 0.83 GAA (0.64) GAAKMT2AMEN1LMNAKDM4E
SCHEMBL1279644 0.83 GAA (0.71) GAAKMT2AMEN1LMNAKDM4E

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
CN-112645852-B Synthesis method for catalyzing reduction of imine into amine 赣南医学院 2022-06-14 CN disclosed