SCHEMBL91968

SCHEMBL91968

CS(=O)(=O)c1ccc([I+]c2ccc3c(c2)CCCO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.42
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
PTGS2 P35354 5/20 0.42
PTGS1 P23219 1/20 0.42
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CHRM5 P08912 2/20 0.39
PKM P14618 3/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PKLR P30613 1/20 0.38
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
MAPT P10636 1/20 0.37
NOTUM Q6P988 1/20 0.37
BRD4 O60885 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12596097 0.84 TRIM24 (0.51) TRIM24BRD1BRPF1PTGS2PTGS1
SCHEMBL27898021 0.82 PTGS2 (0.52) TRIM24BRD1BRPF1PTGS2PTGS1
SCHEMBL12595463 0.75 USP9X (0.45) TRIM24BRD1BRPF1PTGS2PKM
SCHEMBL8164691 0.75 PKM (0.57) PTGS2PTGS1KEAP1NFE2L2CHRM5
SCHEMBL6307961 0.72 KEAP1 (0.51) TRIM24BRD1BRPF1KEAP1NFE2L2
SCHEMBL6674134 0.72 CA2 (0.59) TRIM24BRD1BRPF1PTGS2PTGS1
SCHEMBL5747283 0.72 PKM (0.49) TRIM24BRD1BRPF1KEAP1NFE2L2
SCHEMBL3776295 0.71 KEAP1 (0.54) TRIM24BRD1BRPF1KEAP1NFE2L2
SCHEMBL14089191 0.70 FFAR4 (0.57) PTGS2PKMPKLRNPC1RAB9A
SCHEMBL18175882 0.69 TRIM24 (0.54) TRIM24BRD1BRPF1PKMCLK1

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-20140290516-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2014-10-02 US disclosed
US-8127675-B2 Lithographic printing plate precursor and lithographic printing method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20100005989-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION 2010-01-14 US disclosed