SCHEMBL9310243

SCHEMBL9310243

CC(=O)Nc1ccc2c(O)cc(S(=O)(=O)S(=O)(=O)O)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.62
SIRT1 Q96EB6 1/20 0.56
CASP6 P55212 3/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
NT5E P21589 1/20 0.48
PKM P14618 1/20 0.46
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
NSD2 O96028 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
PRMT3 O60678 1/20 0.43
EP300 Q09472 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
GAA P10253 1/20 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
SCHEMBL3481043 0.89 PRMT1 (0.78) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL4117391 0.87 PRMT1 (0.76) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL4117387 0.83 PRMT1 (0.80) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL1803097 0.79 NT5E (0.75) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL9401734 0.78 PRMT1 (0.62) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL13962834 0.78 PKM (0.51) PRMT1SIRT1PKMCA2CA12
SCHEMBL31468114 0.77 PRMT1 (0.51) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL8416221 0.77 PRMT1 (0.83) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL29349608 0.77 PRMT1 (1.00) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL6079067 0.77 PRMT1 (1.00) PRMT1SIRT1CASP6CTDSP1NT5E

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-5298607-A Reactive dyes for cotton CIBA-GEIGY CORPORATION (US) 1994-03-29 US disclosed