SCHEMBL3130086

SCHEMBL3130086

NNc1ccc(OS(=O)(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.49
CA9 Q16790 16/20 0.49
CA1 P00915 15/20 0.49
CA12 O43570 14/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
STS P08842 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7910581 0.82 GLA (0.53) CA2CA9CA1STSGLA
Ammonia Solution, Strong SCHEMBL2908474 0.79 GLA (0.52) CA2CA9CA1STSGLA
SCHEMBL3381009 0.79 ALDH1A1 (0.55) CA2CA9CA1CA12STS
Urea SCHEMBL27973636 0.78 CA2 (0.50) CA2CA9CA1STSGLA
Sulfuric Acid SCHEMBL20984267 0.78 CA1 (0.58) CA2CA9CA1CA12GAA
SCHEMBL6209314 0.76 ALDH1A1 (0.53) CA2CA9CA1CA12GAA
SCHEMBL6563767 0.76 GAA (0.41) CA2CA9CA1CA12GLA
SCHEMBL3380638 0.76 TSHR (0.50) CA2CA9CA1CA12CA4
SCHEMBL5023104 0.75 CA1 (0.72) CA2CA9CA1CA12
SCHEMBL11383141 0.73 ALDH1A1 (0.69) CA2CA9CA1CA12CA4

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-2157088-A1 INDICYANINE DYES AND THE DERIVATIVES THEREOF FOR ANALYSING BIOLOGICAL MICROMOLECULES UCHREZHDENIE ROSSIISKOI AKADEMII NAUK INSTITUT MOLEKULYARNOI BIOLOGII IM. V.A. ENGELGARDTA RAN (IMB RAN) (RU) 2010-02-24 EP disclosed