SCHEMBL5408400

SCHEMBL5408400

CCc1ccc([I+]c2ccc(CC)cc2)cc1.O=[N+]([O-])c1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
PKM P14618 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALPG P10696 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL5405434 0.90 KMT2A (0.45) KMT2AMEN1PKMLMNAALDH1A1
Toliodium SCHEMBL5422145 0.85 KMT2A (0.51) KMT2AMEN1LMNAALDH1A1ACHE
SCHEMBL5403666 0.84 KMT2A (0.58) KMT2AMEN1LMNAALDH1A1ACHE
SCHEMBL5398359 0.83 KMT2A (0.44) KMT2AMEN1PKMLMNAALDH1A1
SCHEMBL5416076 0.82 KMT2A (0.49) KMT2AMEN1PKMLMNAALDH1A1
SCHEMBL5422313 0.82 KAT6A (0.39) KMT2AALDH1A1GAAMAPTTDP1
SCHEMBL5404707 0.81 KMT2A (0.47) KMT2AMEN1PKMLMNAALDH1A1
SCHEMBL8402996 0.77 KMT2A (0.70) KMT2AMEN1PKMLMNAALDH1A1
Potassium Ion SCHEMBL7460752 0.77 KMT2A (0.70) KMT2AMEN1PKMLMNAALDH1A1
SCHEMBL1926677 0.77 KMT2A (0.70) KMT2AMEN1PKMLMNAALDH1A1

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