SCHEMBL5405403

SCHEMBL5405403

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CA2 P00918 3/20 0.46
CA5A P35218 1/20 0.46
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
MMP2 P08253 2/20 0.43
CA1 P00915 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL5409187 0.89 CYP19A1 (0.38) KMT2AGAAHTTCA2CA5A
SCHEMBL5406945 0.86 KMT2A (0.51) KMT2AGAAHTTCA2CA5A
SCHEMBL5403552 0.86 CYP19A1 (0.40) KMT2ACA2CA5AMMP2CA1
SCHEMBL5408367 0.83 KMT2A (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL5398390 0.83 KMT2A (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL5422210 0.81 KMT2A (0.46) KMT2AGAAHTTCA2CA5A
SCHEMBL5409946 0.80 ALDH1A1 (0.40) KMT2AGAAMEN1ALDH1A1
SCHEMBL5405588 0.79 PRMT5 (0.44) KMT2AGAAHTTCA2CA5A
SCHEMBL5398484 0.77 NPSR1 (0.42) CA2MMP2CA1MMP1MMP9
SCHEMBL5404710 0.75 KMT2A (0.45) KMT2AGAACA2MMP2CA1

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