SCHEMBL5408665

SCHEMBL5408665

CC(C)c1ccc([I+]c2ccc(C(C)C)cc2)cc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.38
KAT6A Q92794 1/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
TYR P14679 1/20 0.32
TSHR P16473 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1800652 0.81 ALDH1A1 (0.38) LMNAALDH1A1CA12CA1CA2
Toliodium SCHEMBL2902228 0.81 TLR9 (0.38) LMNAALDH1A1MAPTGAACA12
SCHEMBL7896687 0.81 MCOLN3 (0.45) MCOLN3LMNAALDH1A1MAPTGAA
SCHEMBL5408475 0.81 LMNA (0.43) MCOLN3KAT6ALMNAALDH1A1MAPT
SCHEMBL5408503 0.81 KAT6A (0.35) MCOLN3KAT6ALMNAALDH1A1MAPT
SCHEMBL503663 0.78 CA1 (0.38) GAACA12CA1CA2TSHR
SCHEMBL503800 0.77 ALDH1A1 (0.41) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL5409949 0.77 CA2 (0.41) LMNAALDH1A1CA1CA2L3MBTL1
SCHEMBL5404363 0.77 CNR2 (0.45) MCOLN3KAT6AL3MBTL1
SCHEMBL5412191 0.76 KAT6A (0.38) MCOLN3KAT6ALMNAALDH1A1MAPT

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