SCHEMBL23480415

SCHEMBL23480415

CON(C)C(=O)c1cc2ccc(/C=C\c3ccc4cc(C(=O)N(C)OC)sc4c3)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 13/20 0.60
DYRK1A Q13627 4/20 0.60
DYRK1B Q9Y463 2/20 0.60
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
HDAC1 Q13547 2/20 0.42
LMNA P02545 1/20 0.40
CLK2 P49760 4/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.37
TRPM8 Q7Z2W7 2/20 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
SCHEMBL10238997 0.84 CLK1 (0.62) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL159986 0.83 CLK1 (0.60) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL10238986 0.83 CLK1 (0.82) CLK1DYRK1ADYRK1BLMNACLK2
SCHEMBL23480249 0.83 CLK1 (0.60) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL11888470 0.81 CLK1 (0.69) CLK1DYRK1ADYRK1BHDAC1LMNA
SCHEMBL23480418 0.81 HDAC1 (0.55) CLK1DYRK1ADYRK1BHDAC1LMNA
SCHEMBL23480396 0.81 CLK1 (0.58) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL23480186 0.81 CLK1 (0.58) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL3607907 0.80 CLK1 (0.56) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL10239018 0.79 CLK1 (0.55) CLK1DYRK1ADYRK1BICAM1SELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113679-A1 DIMERIC COMPOUNDS AS STING AGONISTS MERSANA THERAPEUTICS, INC. (US) 2021-06-10 WO disclosed