SCHEMBL5162080

SCHEMBL5162080

CC(=O)C1=NN(c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
CASP6 P55212 2/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
GFER P55789 1/20 0.32
TIMP3 P35625 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TNF P01375 1/20 0.30
NOD2 Q9HC29 1/20 0.30

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
SCHEMBL5162320 0.89 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGAACASP6
SCHEMBL5157504 0.87 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGAACASP6
SCHEMBL5159219 0.84 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGAACASP6
SCHEMBL9448652 0.78 ALDH1A1 (0.52) ALDH1A1MAPTLMNAGAACASP6
SCHEMBL9805829 0.75 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGAACASP6
SCHEMBL11431757 0.73 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAACASP6
SCHEMBL8990101 0.71 ALDH1A1 (0.56) ALDH1A1MAPTLMNAGAACASP6
SCHEMBL10859485 0.68 ALDH1A1 (0.34) ALDH1A1MAPTGAACASP6KMT2A
SCHEMBL10605452 0.67 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAACASP6
SCHEMBL5162071 0.67 ALDH1A1 (0.37) ALDH1A1MAPTLMNAGAACASP6

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-1473330-B1 Process for the synthesis of oxonol compound FUJI PHOTO FILM CO LTD (JP) 2007-02-14 EP disclosed
EP-0819977-B1 Oxonol compound and silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 2006-01-04 EP disclosed
EP-1473330-A1 Process for the synthesis of oxonol compound FUJI PHOTO FILM CO., LTD. (JP) 2004-11-03 EP disclosed
US-6159673-A Oxonol compound, light-sensitive material and process for the synthesis of oxonol compound FUJI PHOTO FILM CO., LTD. (JP) 2000-12-12 US disclosed
EP-0819977-A1 Oxonol compound, silver halide photographic material and process for the synthesis of oxonol compound FUJI PHOTO FILM CO., LTD. (JP) 1998-01-21 EP disclosed