SCHEMBL5408367

SCHEMBL5408367

CC(C)(C)c1ccc([I+](OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CA2 P00918 2/20 0.46
CA5A P35218 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALOX5 P09917 1/20 0.44
CA1 P00915 1/20 0.43
MMP1 P03956 1/20 0.43

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
SCHEMBL5406934 0.89 HSD11B1 (0.40) KMT2AGAAHTTALDH1A1LMNA
SCHEMBL5405588 0.89 PRMT5 (0.44) KMT2AGAAHTTCA2CA5A
SCHEMBL5406945 0.86 KMT2A (0.51) KMT2AGAAHTTCA2CA5A
SCHEMBL5398592 0.86 HSD11B1 (0.47) KMT2AGAAHTTCA2CA5A
SCHEMBL5398390 0.83 KMT2A (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL5405403 0.83 KMT2A (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL5422210 0.81 KMT2A (0.46) KMT2AGAAHTTCA2CA5A
SCHEMBL5412396 0.80 PTGER2 (0.37) CA2ALDH1A1NPC1RAB9ACA1
SCHEMBL5404826 0.79 KMT2A (0.49) KMT2AGAAHTTCA2CA5A
SCHEMBL452775 0.79 HSD11B1 (0.47) KMT2ACA2ALDH1A1MEN1MAPT

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