SCHEMBL5406945

SCHEMBL5406945

Cc1ccc([I+](OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA2 P00918 2/20 0.49
CA5A P35218 1/20 0.49
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
TSHR P16473 1/20 0.46
ACHE P22303 1/20 0.46
CA1 P00915 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46

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
SCHEMBL2898434 0.88 CYP1A2 (0.51) KMT2AGAAHTTCYP1A2CYP3A4
SCHEMBL5408954 0.88 ACHE (0.43) KMT2AGAAHTTCYP1A2CYP3A4
SCHEMBL5398390 0.86 KMT2A (0.48) KMT2AGAAHTTCYP1A2CYP3A4
SCHEMBL5405403 0.86 KMT2A (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL5408367 0.86 KMT2A (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL6567326 0.85 ACHE (0.55) KMT2AGAACYP1A2CYP3A4CYP2C19
SCHEMBL5422210 0.84 KMT2A (0.46) KMT2AGAAHTTCYP1A2CYP3A4
SCHEMBL4653596 0.83 ACHE (0.49) KMT2AGAAHTTCYP1A2CYP3A4
SCHEMBL5405588 0.82 PRMT5 (0.44) KMT2AGAAHTTCA2CA5A
SCHEMBL5401602 0.78 HCRTR2 (0.40) KMT2ACA2MEN1ALDH1A1ACHE

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