SCHEMBL5403666

SCHEMBL5403666

O=[N+]([O-])c1ccccc1S(=O)(=O)[O-].c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 3/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
CYP19A1 P11511 1/20 0.46
NPC1 O15118 1/20 0.44

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
Toliodium SCHEMBL5422145 0.88 KMT2A (0.51) KMT2AMEN1F2PRSS1PRSS2
Potassium Ion SCHEMBL7460752 0.86 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL1926677 0.86 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2
Potassium Ion SCHEMBL31590411 0.86 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL31348020 0.86 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL8402996 0.86 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2
Zinc Ion SCHEMBL4580866 0.86 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2
Silver SCHEMBL28472363 0.86 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2
Lithium Ion SCHEMBL28617228 0.86 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL30019896 0.86 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2

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