SCHEMBL5416079

SCHEMBL5416079

CC(C)(C)c1ccc([I+](OS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HSD11B1 P28845 2/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 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
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL5398366 0.88 KMT2A (0.42) KMT2AMEN1HSD11B1CA1CA2
SCHEMBL5422150 0.86 KMT2A (0.49) KMT2AMEN1CA1CA2MMP1
SCHEMBL5404710 0.83 KMT2A (0.45) KMT2AMEN1CA1CA2MMP1
SCHEMBL5408404 0.83 KMT2A (0.45) KMT2AMEN1CA1CA2MMP1
SCHEMBL5405438 0.81 KMT2A (0.43) KMT2AMEN1CA1CA2MMP1
SCHEMBL2966142 0.81 HSD11B1 (0.41) KMT2AMEN1HSD11B1CA1CA2
SCHEMBL5398592 0.78 HSD11B1 (0.47) KMT2AMEN1HSD11B1CA1CA2
SCHEMBL5406934 0.76 HSD11B1 (0.40) KMT2AMEN1HSD11B1APEX1ALDH1A1
SCHEMBL5408367 0.76 KMT2A (0.48) KMT2AMEN1CA1CA2MMP1
SCHEMBL452775 0.76 HSD11B1 (0.47) KMT2AMEN1HSD11B1CA1CA2

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