SCHEMBL301212

SCHEMBL301212

Cc1cc(C)c(S(=O)(=O)ON)c(C)c1.O=S(=O)=NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAPGEF4 Q8WZA2 6/20 0.37
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 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
SCHEMBL20310 0.86 F2 (0.50) F2PRSS1PRSS2PRSS3CA1
Hydrochloric Acid SCHEMBL28479231 0.84 F2 (0.49) F2PRSS1PRSS2PRSS3CA1
Methylene Chloride SCHEMBL23923198 0.79 F2 (0.45) F2PRSS1PRSS2PRSS3CA1
Trifluoroacetic Acid SCHEMBL8316154 0.75 F2 (0.43) F2PRSS1PRSS2PRSS3CA1
SCHEMBL20626670 0.74 F2 (0.44) F2PRSS1PRSS2PRSS3CA1
SCHEMBL5289461 0.71 ALDH1A1 (0.43) F2PRSS1PRSS2PRSS3CA1
SCHEMBL8739532 0.70 F2 (0.41) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2678329 0.69 CA1 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL9953282 0.68 F2 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL19309115 0.68 CA2 (0.34) F2PRSS1PRSS2PRSS3CA2

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
EP-2254900-B1 CHEMICAL MODIFICATION OF PROTEINS ISIS INNOVATION (GB) 2012-03-14 EP claimed