SCHEMBL5398366

SCHEMBL5398366

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP19A1 P11511 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
LMNA P02545 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL5416079 0.88 KMT2A (0.46) KMT2AMEN1PKMALDH1A1CYP19A1
SCHEMBL5408404 0.84 KMT2A (0.45) KMT2AMEN1PKMALDH1A1CYP19A1
SCHEMBL5416235 0.83 NPC1 (0.38) KMT2AMEN1POLBLMNAHSD11B1
SCHEMBL5422150 0.82 KMT2A (0.49) KMT2AMEN1PKMALDH1A1CA1
SCHEMBL5405438 0.82 KMT2A (0.43) KMT2AMEN1PKMALDH1A1CYP19A1
SCHEMBL5404710 0.79 KMT2A (0.45) KMT2AMEN1PKMALDH1A1CYP19A1
SCHEMBL5400383 0.79 POLB (0.35) KMT2AMEN1ALDH1A1CYP19A1HPGD
SCHEMBL5405588 0.78 PRMT5 (0.44) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL5405455 0.78 HSD11B1 (0.40) KMT2AMEN1ALDH1A1F2LMNA
SCHEMBL3753449 0.75 NPC1 (0.38) KMT2AMEN1ALDH1A1CA1CA2

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