SCHEMBL27930100

SCHEMBL27930100

NS(=O)(=O)ON(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL28991731 0.80 CA1 (0.31) CA1CA2CA9
SCHEMBL439390 0.73 MAPT (0.32) SMN1; SMN2
SCHEMBL29206586 0.70
SCHEMBL25294584 0.69 CA1 (0.30) CA1
SCHEMBL25255398 0.66 ALDH1A1 (0.32) SMN1; SMN2
Trolamine SCHEMBL11063558 0.65 CA2 (0.47) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL1213173 0.65 CA2 (0.55) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL27975438 0.64
SCHEMBL9011709 0.62 MAPT (0.39) CA12CA1CA2CA9
SCHEMBL10317295 0.62

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
CN-103193408-A Cement grinding aid and mother liquor, as well as preparation methods and use methods thereof UNIV CHINA MINING 2013-07-10 CN disclosed