SCHEMBL5404710

SCHEMBL5404710

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 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
THRB P10828 1/20 0.39
GAA P10253 1/20 0.38
CYP19A1 P11511 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5422150 0.85 KMT2A (0.49) KMT2AMEN1CA1CA2MMP1
SCHEMBL5416079 0.83 KMT2A (0.46) KMT2AMEN1CA1CA2MMP1
SCHEMBL5408404 0.82 KMT2A (0.45) KMT2AMEN1CA1CA2MMP1
SCHEMBL5404365 0.81 CNR2 (0.39) KMT2AMEN1ALDH1A1
SCHEMBL5405438 0.80 KMT2A (0.43) KMT2AMEN1CA1CA2MMP1
SCHEMBL5398366 0.79 KMT2A (0.42) KMT2AMEN1CA1CA2MMP1
SCHEMBL5403552 0.77 CYP19A1 (0.40) KMT2AMEN1CA1CA2MMP1
SCHEMBL5416323 0.75 MEN1 (0.38) KMT2AMEN1ALDH1A1
SCHEMBL5409187 0.75 CYP19A1 (0.38) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL5405403 0.75 KMT2A (0.48) KMT2AMEN1CA1CA2MMP1

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