SCHEMBL5966737

SCHEMBL5966737

O=C(O)C(Cc1ccc(O)cc1)N(I)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.46
▸ CPA1 P15085 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ CAMK2A Q9UQM7 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ NAALAD2 Q9Y3Q0 1/20 0.37

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
SCHEMBL432794 0.84 SLC7A5 (0.49) SLC7A5CPA1CA2CA1FNTA
SCHEMBL432795 0.84 SLC7A5 (0.49) SLC7A5CPA1CA2CA1FNTA
SCHEMBL31480614 0.83 SLC7A5 (0.47) SLC7A5CPA1CA2CA1FNTA
SCHEMBL31480546 0.82 SLC7A5 (0.50) SLC7A5CPA1CA2CA1FNTA
SCHEMBL5341495 0.82 SLC7A5 (0.50) SLC7A5CPA1CA2CA1FNTA
SCHEMBL23610314 0.81 SLC7A5 (0.51) SLC7A5CA2FNTAFNTBPOLB
SCHEMBL169321 0.80 SLC7A5 (0.55) SLC7A5CA2FNTAFNTBPOLB
SCHEMBL169322 0.80 SLC7A5 (0.55) SLC7A5CA2FNTAFNTBPOLB
Methane SCHEMBL17267562 0.79 SLC7A5 (0.53) SLC7A5CA2FNTAFNTBPOLB
SCHEMBL11053244 0.78 SLC7A5 (0.51) SLC7A5CA2FNTAFNTBPOLB

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
US-20060198831-A1 Nitrosylation of protein SH groups and amino acid residues as a therapeutic modality BRIGHAM AND WOMEN'S HOSPITAL (US) 2006-09-07 — — US disclosed
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