SCHEMBL14259342

SCHEMBL14259342

COc1cc(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c(OC)cc1N=Nc1cc(SOOO)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.42
ENPP2 Q13822 5/20 0.40
PTPN11 Q06124 1/20 0.39
PTPN1 P18031 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
BRCA1 P38398 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SLC10A1 Q14973 1/20 0.35

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
SCHEMBL14259341 0.92 PTPN11 (0.42) PHLPP2ENPP2PTPN11MEN1KMT2A
SCHEMBL12568511 0.91 ENPP2 (0.42) PHLPP2ENPP2PTPN11PTPN1MEN1
SCHEMBL13615130 0.91 PTPN11 (0.46) PHLPP2ENPP2PTPN11PTPN1MEN1
SCHEMBL13860946 0.88 ENPP2 (0.46) PHLPP2ENPP2PTPN11PTPN1MEN1
SCHEMBL13615190 0.87 PHLPP2 (0.46) PHLPP2ENPP2PTPN11MEN1KMT2A
SCHEMBL13921652 0.87 PHLPP2 (0.42) PHLPP2ENPP2PTPN11PTPN1MEN1
SCHEMBL13647688 0.85 ENPP2 (0.38) PHLPP2ENPP2PTPN11PTPN1MEN1
SCHEMBL13860897 0.84 PTPN11 (0.40) PHLPP2ENPP2PTPN11MEN1KMT2A
SCHEMBL13615143 0.84 ENPP2 (0.48) PHLPP2ENPP2PTPN11PTPN1MEN1
SCHEMBL13860923 0.84 ENPP2 (0.43) PHLPP2ENPP2PTPN11MEN1KMT2A

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-20080063800-A1 Transition metal complex in liquid medium of water, organic solvent; substituted phenylene or naphthylene; carboxy, sulpho, phosphate water solubilising groups; text, picture, photorealistic; paper, plastic, textile, metal, glass; neutral black shades; storage stability; low tendency to block fine nozzle FUJIFILM IMAGING COLORANTS LIMITED (GB) 2008-03-13 US disclosed