SCHEMBL20111162

SCHEMBL20111162

[N-]=[N+]=NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.58
CA2 P00918 6/20 0.58
CA1 P00915 5/20 0.58
CA12 O43570 4/20 0.58
SCN2A Q99250 3/20 0.58
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 3/20 0.44
ALDH1A1 P00352 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL6917519 0.80 MGLL (0.50) NPSR1LMNAALDH1A1
SCHEMBL18173518 0.78 CA12 (0.56) CA9CA2CA1CA12KMT2A
SCHEMBL2412820 0.77 CA1 (0.69) CA9CA2CA1CA12SCN2A
SCHEMBL9438146 0.77 CA1 (0.73) CA9CA2CA1CA12SCN2A
SCHEMBL10823807 0.76 CA1 (0.43) CA9CA2CA1LMNAALDH1A1
SCHEMBL2850335 0.76 CA2 (0.44) CA9CA2CA1CA12SCN2A
SCHEMBL18180096 0.76 CA2 (0.37) CA9CA2CA1CA12KMT2A
SCHEMBL11031364 0.76 CA1 (0.35) CA9CA2CA1CA12
SCHEMBL16702445 0.75 CA12 (0.33) CA9CA2CA1CA12SCN2A
SCHEMBL81874 0.74 HTR6 (0.44) CA9CA2CA1CA12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118857-A1 PROCESS FOR FUNCTIONALISING POLYMERS WILMINGTON TRUST (LONDON) LIMITED, AS COLLATERAL AGENT (GB) 2018-05-03 US disclosed
US-20180118857-A1 PROCESS FOR FUNCTIONALISING POLYMERS WILMINGTON TRUST (LONDON) LIMITED, AS COLLATERAL AGENT (GB) 2018-05-03 US disclosed