SCHEMBL5422147

SCHEMBL5422147

O=[N+]([O-])c1cc([N+](=O)O)cc(S(=O)(=O)O[I+](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
CA5A P35218 1/20 0.36
AGTR1 P30556 1/20 0.35
PGR P06401 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL5400371 0.83 AGTR1 (0.34) GAAHTTKMT2ACA2CA1
SCHEMBL5421325 0.82 KMT2A (0.37) GAAHTTKMT2ACA2CA1
SCHEMBL2903778 0.82 GAA (0.46) GAAHTTKMT2ACA2CA1
SCHEMBL5408954 0.80 ACHE (0.43) GAAHTTKMT2ALMNAALDH1A1
SCHEMBL4654799 0.79 AGTR1 (0.33) KMT2ACA2CA1MMP1MMP2
SCHEMBL5406934 0.76 HSD11B1 (0.40) ALOX5GAAHTTKMT2ALMNA
SCHEMBL5412310 0.76 HTT (0.42) ALOX5GAAHTTKMT2ACA2
SCHEMBL5409187 0.76 CYP19A1 (0.38) ALOX5GAAHTTKMT2ACA2
SCHEMBL4653596 0.75 ACHE (0.49) GAAHTTKMT2ACA2CA1
SCHEMBL5415038 0.74 ALOX5 (0.40) ALOX5HTTCA2CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 US disclosed
EP-1406123-A1 RESIST COMPOSITIONS Wako Pure Chemical Industries, Ltd. (JP) 2004-04-07 EP disclosed