SCHEMBL5405583

SCHEMBL5405583

CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1

nearest known ligand 0.46

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
CA2 P00918 2/20 0.44
CA5A P35218 1/20 0.44
MEN1 O00255 1/20 0.43
ACHE P22303 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
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 3/20 0.39
F2 P00734 2/20 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
SCHEMBL5400380 0.89 HSD11B1 (0.35) KMT2AGAAHTTCA2CA5A
SCHEMBL5408366 0.88 KMT2A (0.50) KMT2AGAAHTTCA2CA5A
SCHEMBL5398387 0.83 KMT2A (0.50) KMT2AGAAHTTCA2CA5A
SCHEMBL5410035 0.82 NPC1 (0.36) LMNAMAPK1SMN1; SMN2ALDH1A1
Toliodium SCHEMBL5406939 0.81 KMT2A (0.54) KMT2AGAAHTTCA2CA5A
SCHEMBL5411445 0.81 CA1 (0.41) KMT2AGAAHTTCA2MEN1
SCHEMBL5422203 0.81 KMT2A (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL5421317 0.80 KMT2A (0.58) KMT2AGAAHTTCA2CA5A
SCHEMBL5405401 0.78 KMT2A (0.50) KMT2AGAAHTTCA2CA5A
SCHEMBL5398359 0.77 KMT2A (0.44) KMT2ACA2MEN1ACHECA1

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