SCHEMBL5409182

SCHEMBL5409182

CC(C)c1ccc([I+]c2ccc(C(C)C)cc2)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ACHE P22303 2/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
CA5A P35218 2/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5403550 0.89 CA1 (0.43) CYP19A1MCOLN3KMT2AGAACA2
SCHEMBL5405401 0.88 KMT2A (0.50) CYP19A1KMT2AGAAHTTCA2
Toliodium SCHEMBL5408948 0.84 ACHE (0.46) KMT2AGAAHTTCA2ACHE
SCHEMBL5422143 0.81 KMT2A (0.45) CYP19A1KMT2AGAAHTTCA2
SCHEMBL5406930 0.81 HSD11B1 (0.42) KMT2AGAAHTTCA2ACHE
SCHEMBL5412307 0.81 HTT (0.41) CYP19A1KMT2AGAAHTTCA2
SCHEMBL5415032 0.78 CA2 (0.42) KMT2AGAAHTTCA2CA12
SCHEMBL5400380 0.76 HSD11B1 (0.35) KMT2AGAAHTTCA2CA1
SCHEMBL29364739 0.76 ACHE (0.48) MCOLN3GAACA2CA12CA1
SCHEMBL5408849 0.75 CNR2 (0.38) MCOLN3GAACA2CA12CA1

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