SCHEMBL10487477

SCHEMBL10487477

O=C(CCCl)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.69
CASP6 P55212 4/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
NT5E P21589 2/20 0.54
SIRT1 Q96EB6 1/20 0.52
NSD2 O96028 3/20 0.51
DUSP3 P51452 2/20 0.51
PTPN5 P54829 2/20 0.51
PTPN11 Q06124 2/20 0.51
CASP7 P55210 2/20 0.45
CASP3 P42574 1/20 0.44
CASP2 P42575 1/20 0.44
CASP8 Q14790 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL10487438 0.91 NT5E (0.67) PRMT1CASP6CTDSP1NT5ESIRT1
SCHEMBL8416196 0.90 PRMT1 (0.72) PRMT1CASP6CTDSP1NT5ESIRT1
SCHEMBL9818196 0.90 PRMT1 (0.72) PRMT1CASP6CTDSP1NT5ESIRT1
SCHEMBL8436477 0.84 PRMT1 (0.72) PRMT1CASP6CTDSP1NT5ESIRT1
SCHEMBL10873428 0.84 PRMT1 (0.72) PRMT1CASP6CTDSP1NT5ESIRT1
SCHEMBL10792985 0.83 PRMT1 (0.71) PRMT1CASP6CTDSP1NT5ESIRT1
SCHEMBL6079067 0.82 PRMT1 (1.00) PRMT1CASP6CTDSP1NT5ESIRT1
SCHEMBL8416221 0.82 PRMT1 (0.83) PRMT1CASP6CTDSP1NT5ESIRT1
SCHEMBL29349608 0.82 PRMT1 (1.00) PRMT1CASP6CTDSP1NT5ESIRT1
SCHEMBL2679101 0.82 PRMT1 (1.00) PRMT1CASP6CTDSP1NT5ESIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4808193-A Process for dyeing hydroxy-containing fiber material with water-soluble dis-azo reactive dye compound HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4762916-A CELLULOSE FABRICS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0228044-A2 Water-soluble azo compounds, process for their preparation and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-08 EP disclosed