SCHEMBL8099566

SCHEMBL8099566

O=C(O)c1ccccc1C(=O)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.66
CASP6 P55212 3/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
NSD2 O96028 2/20 0.52
DUSP3 P51452 2/20 0.52
PTPN5 P54829 2/20 0.52
PTPN11 Q06124 2/20 0.52
NT5E P21589 1/20 0.52
CASP7 P55210 1/20 0.52
SIRT1 Q96EB6 1/20 0.50
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
APEX1 P27695 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6560722 0.87 CASP6 (0.67) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL3830931 0.86 CASP6 (0.77) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL11587598 0.86 CASP6 (0.69) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL2679101 0.80 PRMT1 (1.00) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL29349608 0.80 PRMT1 (1.00) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL6079067 0.80 PRMT1 (1.00) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL8416221 0.80 PRMT1 (0.83) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL28933628 0.80 PRMT1 (0.55) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL10907815 0.79 PRMT1 (0.63) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL11344652 0.79 PRMT1 (0.74) PRMT1CASP6CTDSP1NSD2DUSP3

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-0976793-A1 Deep black dye mixture of fiber-reactive azo dyes and use thereof for dyeing hydroxy-and/or carboxamido-containing fiber material DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-02-02 EP disclosed
US-5931974-A FOR CELLULOSE, COTTON, WOOL, POLYAMIDES DYSTAR TEXTILFARBEN GMBH & CO. (DE) 1999-08-03 US disclosed