SCHEMBL6580279

SCHEMBL6580279

Nc1cc(N)c(OS(=O)(=O)O)cc1OS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
PKM P14618 2/20 0.35
CA5A P35218 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
ALOX15 P16050 2/20 0.34
CASP1 P29466 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
USP2 O75604 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
G6PD P11413 1/20 0.34
GAA P10253 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL8997103 0.93 PKM (0.41) SLC22A6PKMCA5AALDH1A1HSD17B10
SCHEMBL9639874 0.79 ALDH1A1 (0.50) SLC22A6PKMCA5AALDH1A1HSD17B10
SCHEMBL5691182 0.79 ALDH1A1 (0.46) SLC22A6PKMCA5AALDH1A1HSD17B10
SCHEMBL7766505 0.77 CISD1 (0.41) SLC22A6CA5AALDH1A1HSD17B10MAPT
SCHEMBL11028747 0.77 GAA (0.47) SLC22A6PKMCA5AALDH1A1HSD17B10
SCHEMBL7755552 0.77 GLA (0.44) SLC22A6CA5AALDH1A1KDM4EMEN1
SCHEMBL7763074 0.77 CISD1 (0.41) SLC22A6PKMCA5AALDH1A1HSD17B10
SCHEMBL8384939 0.77 PKM (0.46) PKMCA5AALDH1A1HSD17B10KDM4E
SCHEMBL6326972 0.76 GAA (0.50) SLC22A6ALDH1A1HSD17B10MEN1MAPT
SCHEMBL8648071 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EMEN1MAPT

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
EP-1036825-B1 Reactive dyestuffs, process for their preparation and use thereof CIBA SC HOLDING AG (CH) 2004-05-06 EP disclosed
EP-1036825-A1 Reactive dyestuffs, process for their preparation and use thereof Ciba SC Holding AG (CH) 2000-09-20 EP disclosed
EP-0369385-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-05-23 EP disclosed