SCHEMBL8029582

SCHEMBL8029582

COc1ccc(N=Nc2c(OS(=O)(=O)O)cc3cc(N)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.54
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
BRCA1 P38398 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SLC10A1 Q14973 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ENPP2 Q13822 8/20 0.41

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
SCHEMBL7770984 0.89 PHLPP2 (0.62) PHLPP2ALDH1A1MEN1THRBKMT2A
SCHEMBL8059751 0.89 PHLPP2 (0.62) PHLPP2ALDH1A1MEN1THRBKMT2A
SCHEMBL28820269 0.85 PHLPP2 (0.59) PHLPP2ALDH1A1MEN1THRBKMT2A
SCHEMBL13994972 0.82 PHLPP2 (0.49) PHLPP2ALDH1A1MEN1THRBKMT2A
SCHEMBL13997541 0.82 PHLPP2 (0.54) PHLPP2ALDH1A1MEN1THRBKMT2A
SCHEMBL29723780 0.81 PHLPP2 (0.53) PHLPP2ALDH1A1MEN1THRBKMT2A
SCHEMBL20735272 0.80 PHLPP2 (0.60) PHLPP2ALDH1A1MEN1THRBKMT2A
SCHEMBL10350674 0.79 CD40 (0.51) PHLPP2ALDH1A1ENPP2MPLCD40
SCHEMBL10350675 0.79 CD40 (0.51) PHLPP2ALDH1A1ENPP2MPLCD40
SCHEMBL10383549 0.78 PHLPP2 (0.55) PHLPP2ALDH1A1MEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776947-B1 Fiber-reactive dyestuffs, their preparation and use CIBA SC HOLDING AG (CH) 2000-04-26 EP disclosed
EP-0775732-B1 Fiber-reactive dyestuffs, their preparation and use CIBA SC HOLDING AG (CH) 2000-04-26 EP disclosed
EP-0776947-A1 Fiber-reactive dyestuffs, their preparation and use Ciba SC Holding AG (CH) 1997-06-04 EP disclosed
EP-0775732-A1 Fiber-reactive dyestuffs, their preparation and use Ciba SC Holding AG (CH) 1997-05-28 EP disclosed