SCHEMBL6001832

SCHEMBL6001832

O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 1.00
ALDH3A1 P30838 2/20 0.69
EPAS1 Q99814 6/20 0.67
HSPB1 P04792 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE7A Q13946 1/20 0.46
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
VCAM1 P19320 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6000293 1.00 PTPN1 (1.00) PTPN1ALDH3A1EPAS1HSPB1ALDH1A1
SCHEMBL6001963 0.88 PTPN1 (0.77) PTPN1ALDH3A1EPAS1HSPB1ALDH1A1
SCHEMBL7170111 0.84 PTPN1 (0.72) PTPN1ALDH3A1EPAS1HSPB1ALDH1A1
SCHEMBL6000377 0.84 PTPN1 (0.70) PTPN1ALDH3A1EPAS1ALDH1A1MAPT
SCHEMBL6000240 0.81 PTPN1 (0.67) PTPN1ALDH3A1EPAS1ALDH1A1MAPT
SCHEMBL6001782 0.80 PTPN1 (0.67) PTPN1ALDH3A1EPAS1ALDH1A1MAPT
SCHEMBL29257164 0.80 PTPN1 (0.67) PTPN1ALDH3A1EPAS1ALDH1A1MAPT
SCHEMBL6000219 0.78 ALDH3A1 (0.66) PTPN1ALDH3A1EPAS1ALDH1A1MAPT
SCHEMBL6001799 0.76 ALDH3A1 (0.62) PTPN1ALDH3A1EPAS1ALDH1A1MAPT
SCHEMBL6001772 0.74 PTPN1 (0.58) PTPN1ALDH3A1EPAS1ALDH1A1MAPT

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-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed