SCHEMBL6889867

SCHEMBL6889867

NNC(=O)c1ccc(O)cc1I

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
GFER P55789 2/20 0.67
BLM P54132 2/20 0.48
MPO P05164 1/20 0.48
CYP3A4 P08684 1/20 0.48
KDM5A P29375 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
KMT2A Q03164 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CES2 O00748 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39

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
SCHEMBL1974542 0.82 ALDH1A1 (0.48) ALDH1A1GFERBLMMPOCYP3A4
SCHEMBL183180 0.82 ALDH1A1 (0.74) ALDH1A1GFERBLMMPOCYP3A4
SCHEMBL1303113 0.80 ALDH1A1 (1.00) ALDH1A1GFERBLMMPOCYP3A4
SCHEMBL24013508 0.79 ALDH1A1 (0.46) ALDH1A1GFERKDM4EMAPTGAA
SCHEMBL31276580 0.79 KDM4E (0.68) ALDH1A1GFERHIF1AKDM4EMAPT
SCHEMBL23242477 0.78 CES2 (0.45) ALDH1A1GFERBLMCYP3A4PMP22
SCHEMBL28515046 0.77 ALDH1A1 (0.67) ALDH1A1GFERBLMMPOCYP3A4
SCHEMBL2648954 0.77 KDM4E (0.70) ALDH1A1GFERBLMMPOCYP3A4
SCHEMBL9139876 0.76 ALDH1A1 (0.71) ALDH1A1GFERBLMMPOCYP3A4
SCHEMBL30373808 0.76 ALDH1A1 (0.71) ALDH1A1GFERBLMMPOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783366-B1 CHROMATOGRAPHIC RESINS AND METHODS FOR USING SAME UNIV MASSEY (NZ) 2004-08-18 EP disclosed
US-5945520-A RESIN OF SOLID SUPPORT MATRIX, SPACER ARM AND IONIZABLE FUNCTIONALITY; SPECIFICALLY DESIGNED TO BIND THE TARGET COMPOUND FROM AN AQUEOUS SOLUTION AT BOTH A LOW AND HIGH IONIC STRENGTH MASSEY UNIVERSITY (NZ) 1999-08-31 US disclosed
US-5652348-A SOLID SUPPORT MATRIX, IONIZABLE LIGANDS SELECTED RELATIVE TO TARGET COMPOUND MASSEY UNIVERSITY (NZ) 1997-07-29 US disclosed
EP-0783366-A1 CHROMATOGRAPHIC RESINS AND METHODS FOR USING SAME MASSEY UNIVERSITY (NZ) 1997-07-16 EP disclosed
WO-1996009116-A1 CHROMATOGRAPHIC RESINS AND METHODS FOR USING SAME MASSEY UNIVERSITY (NZ) 1996-03-28 WO disclosed