SCHEMBL5422210

SCHEMBL5422210

CCCc1ccc([I+](OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccc(CCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CYP19A1 P11511 1/20 0.45
POLB P06746 1/20 0.44
CA2 P00918 2/20 0.44
CA5A P35218 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 4/20 0.42
CA1 P00915 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL5398390 0.91 KMT2A (0.48) KMT2AGAAHTTPRMT5WDR77
SCHEMBL5415038 0.89 ALOX5 (0.40) HTTCYP19A1POLBCA2MAPT
SCHEMBL5406945 0.84 KMT2A (0.51) KMT2AGAAHTTPRMT5WDR77
SCHEMBL5405588 0.82 PRMT5 (0.44) KMT2AGAAHTTPRMT5WDR77
SCHEMBL5405403 0.81 KMT2A (0.48) KMT2AGAAHTTPRMT5WDR77
SCHEMBL5408367 0.81 KMT2A (0.48) KMT2AGAAHTTPRMT5WDR77
SCHEMBL5413752 0.81 CA2 (0.38) KMT2APOLBCA2MEN1MAPT
SCHEMBL5412310 0.79 HTT (0.42) KMT2AGAAHTTPRMT5WDR77
SCHEMBL5400059 0.78 TRPV1 (0.43) KMT2APOLBCA2MEN1MAPT
SCHEMBL5421273 0.76 CA2 (0.41) KMT2ACYP19A1POLBCA2CA5A

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