SCHEMBL5408487

SCHEMBL5408487

CCc1ccc([I+]c2ccc(CC)cc2)cc1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CA2 P00918 2/20 0.41
KIF11 P52732 3/20 0.39
KMT2A Q03164 3/20 0.39
CA1 P00915 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
RORC P51449 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL5398351 0.89 CA2 (0.39) BCHEACHECA2FFAR4CYP19A1
SCHEMBL5403445 0.89 CA2 (0.44) BCHEACHECA2KIF11KMT2A
SCHEMBL1804286 0.87 KIF11 (0.47) BCHEACHECA2KIF11KMT2A
SCHEMBL5398584 0.85 CA1 (0.43) CA2CA1FFAR4LMNASMN1; SMN2
SCHEMBL5412549 0.84 CA1 (0.38) BCHEACHECA2KIF11KMT2A
SCHEMBL548081 0.83 ALDH1A1 (0.49) BCHEACHECA2KIF11KMT2A
SCHEMBL503480 0.83 ALDH1A1 (0.44) ACHECA2KIF11KMT2ACA1
SCHEMBL5413750 0.83 CA2 (0.44) BCHEACHECA2CA1FFAR4
Toliodium SCHEMBL2902858 0.83 ALDH1A1 (0.49) BCHEACHECA2KIF11KMT2A
SCHEMBL29364772 0.81 CA2 (0.46) CA2KMT2ACA1KDM4ELMNA

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