SCHEMBL4219795

SCHEMBL4219795

Cc1ccc([I+]c2ccc(F)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.35
TLR9 Q9NR96 1/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
PAX8 Q06710 1/20 0.33
HSD11B1 P28845 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
RORC P51449 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
Toliodium SCHEMBL2895493 0.94 TLR9 (0.39) TLR9GAAALDH1A1CA2CA1
Toliodium SCHEMBL2897584 0.93 CA2 (0.38) TLR9GAAALDH1A1CA2CA1
SCHEMBL1801410 0.93 CA2 (0.36) HSD11B1CA2CA1
SCHEMBL3284972 0.91 CA2 (0.39) HSD11B1CA2CA1
SCHEMBL7702939 0.89 GPR3 (0.35) TLR9KMT2AL3MBTL1ALDH1A1CA2
SCHEMBL1805421 0.87 CA2 (0.34) CA2CA1
SCHEMBL3284031 0.86 CA2 (0.35) CA2CA1
SCHEMBL4643400 0.83 KCNH2 (0.34) TLR9
SCHEMBL3762384 0.82 ALDH1A1 (0.35) ALDH1A1CA2CA1
SCHEMBL3759051 0.82 CA1 (0.33) ACHEBCHETLR9RORCALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488566-B2 Positive type radiation-sensitive resin composition JSR CORPORATION (JP) 2009-02-10 US disclosed
US-20060223010-A1 Positive type radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-05 US disclosed