SCHEMBL971359

SCHEMBL971359

O=[N+]([O-])c1ccc(S(=O)(=O)c2[c]cccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
CA1 P00915 5/20 0.46
CA14 Q9ULX7 4/20 0.46
CA3 P07451 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA13 Q8N1Q1 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
AGTR1 P30556 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 4/20 0.44
MMP2 P08253 3/20 0.42
HTT P42858 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 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
SCHEMBL315684 0.80 HTR6 (0.54) CA2CA12CA9CA1CA14
SCHEMBL6966187 0.79 AGTR1 (0.51) CA2CA12CA9CA1CA14
SCHEMBL310695 0.77 GAA (0.54) CA2CA12CA9CA1CA3
SCHEMBL29001803 0.77 ALDH1A1 (0.54) CA2CA12CA9CA1CA14
SCHEMBL10438578 0.77 PTGS2 (0.40) CA2CA1ALDH1A1LMNAKMT2A
SCHEMBL6661818 0.77 HTR6 (0.39) KMT2A
SCHEMBL3895943 0.76 AGTR1 (0.64) CA2CA12CA9CA1CA14
SCHEMBL11655146 0.76 AGTR1 (0.64) CA2CA12CA9CA1CA14
SCHEMBL11855965 0.75 CA2 (0.67) CA2CA12CA9CA1CA14
SCHEMBL150811 0.75 HTR6 (0.38) CA2CA9CA1CA5AKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568685-B2 Separation of nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-29 US disclosed
US-20110011773-A1 Separation of Nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2011-01-20 US disclosed
EP-2225174-A2 SEPARATION OF NANOSTRUCTURES Massachusetts Institute of Technology (US) 2010-09-08 EP disclosed
WO-2009070240-A2 SEPARATION OF NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-04 WO disclosed