SCHEMBL9541745

SCHEMBL9541745

O=S(=O)(ON(c1ccccc1)c1ccccc1)ON(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 0.37
ESR1 P03372 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HTR6 P50406 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL28512057 0.81 CA12 (0.47) ALDH1A1CA2CA9CA12PKM
SCHEMBL9541750 0.81 ALDH1A1 (0.41) ALDH1A1CA2CA9CA12PKM
SCHEMBL28417533 0.79 ALDH1A1 (0.63) ALDH1A1CA2CA9CA12PKM
SCHEMBL8192584 0.79 PKM (0.44) ALDH1A1CA2CA9CA12PKM
SCHEMBL28498842 0.78 ALDH1A1 (0.39) ALDH1A1CA2CA9CA12PKM
SCHEMBL10496042 0.76 MEN1 (0.43) ALDH1A1CA2CA9CA12PKM
Sulfuric Acid SCHEMBL30998026 0.70 CA12 (0.41) ALDH1A1CA2CA9CA12NPSR1
Sulfuric Acid SCHEMBL30998027 0.70 CA12 (0.41) ALDH1A1CA2CA9CA12NPSR1
SCHEMBL1465464 0.69 ALDH1A1 (0.39) ALDH1A1CA2CA9CA12NPSR1
SCHEMBL9160089 0.69 ALDH1A1 (0.39) ALDH1A1CA2CA9CA12NPSR1

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
WO-1993015442-A1 ROLLED, PRE-IMAGED SANDBLAST MASKS THE CHROMALINE CORPORATION (US) 1993-08-05 WO disclosed