SCHEMBL17849720

SCHEMBL17849720

Cc1ccc(S(=O)(=O)C2=CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
RAPGEF4 Q8WZA2 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TLR9 Q9NR96 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
PKM P14618 4/20 0.44
MMP2 P08253 2/20 0.43

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
SCHEMBL16370885 0.85 GAA (0.52) GAARAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL10067072 0.80 GAA (1.00) GAARAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL170033 0.80 GAA (1.00) GAARAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL4400955 0.80 GAA (1.00) GAARAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL14445586 0.78 GAA (0.54) GAARAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL19318751 0.78 GAA (0.54) GAARAPGEF4ALDH1A1KMT2AMAPT
Water SCHEMBL9619041 0.78 GAA (0.94) GAARAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL19318729 0.77 GAA (0.52) GAARAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL19318770 0.77 GAA (0.52) GAARAPGEF4ALDH1A1KMT2AMAPT
Methylamine SCHEMBL11593292 0.75 GAA (0.89) GAARAPGEF4ALDH1A1KMT2AMAPT

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
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed