SCHEMBL25819444

SCHEMBL25819444

Cc1ccc(S(=O)(=O)c2ccc(S)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.76
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
RAPGEF4 Q8WZA2 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
CA2 P00918 4/20 0.50
CA1 P00915 2/20 0.50
PKM P14618 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
TLR9 Q9NR96 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL4400955 0.87 GAA (1.00) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL6006737 0.87 ALDH1A1 (0.52) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL10067072 0.87 GAA (1.00) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL636314 0.87 ALDH1A1 (0.52) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL170033 0.87 GAA (1.00) GAAALDH1A1MAPTMEN1KMT2A
Water SCHEMBL9619041 0.85 GAA (0.94) GAAALDH1A1MAPTMEN1KMT2A
Methylamine SCHEMBL11593292 0.82 GAA (0.89) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL31396837 0.82
SCHEMBL4401275 0.80 GAA (0.84) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL19651364 0.80 GAA (0.84) GAAALDH1A1MAPTMEN1KMT2A

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-4093787-B1 (AZIRIDINYL HYDROXY)-FUNCTIONAL ORGANIC COMPOUNDS COVESTRO NETHERLANDS BV (NL) 2023-10-11 EP disclosed
US-20230220158-A1 IONOMERS WITH MACROCYCLIC MOIETIES FOR ION CONDUCTIVITY AND PERMSELECTIVITY NATIONAL SCIENCE FOUNDATION 2023-07-13 US disclosed