SCHEMBL5400366

SCHEMBL5400366

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MMP2 P08253 3/20 0.50
LMNA P02545 3/20 0.50
CA1 P00915 4/20 0.47
CA14 Q9ULX7 3/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CRHBP P24387 1/20 0.44
ATM Q13315 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
SCHEMBL2904040 0.97 MMP2 (0.48) CA2CA12CA9ALDH1A1MMP2
SCHEMBL2895554 0.91 ACHE (0.51) CA2CA12CA9ALDH1A1MMP2
SCHEMBL2903881 0.87 CA2 (0.44) CA2CA12CA9ALDH1A1MMP2
SCHEMBL5422143 0.87 KMT2A (0.45) CA2CA12CA9ALDH1A1MMP2
SCHEMBL426370 0.85 ALDH1A1 (0.62) CA2CA12CA9ALDH1A1MMP2
SCHEMBL5421317 0.84 KMT2A (0.58) CA2ALDH1A1MMP2LMNACA1
SCHEMBL2903776 0.84 KMT2A (0.54) CA2ALDH1A1MMP2LMNACA1
SCHEMBL31145688 0.83 ALDH1A1 (0.60) CA2CA12CA9ALDH1A1MMP2
Hydrochloric Acid SCHEMBL31093480 0.83 ALDH1A1 (0.60) CA2CA12CA9ALDH1A1MMP2
Toliodium SCHEMBL5405412 0.83 ACHE (0.58) CA2CA12CA9ALDH1A1MMP2

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