SCHEMBL15827366

SCHEMBL15827366

C=C(OC)c1cc(N)cc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
KDM4E B2RXH2 5/20 0.46
GAA P10253 4/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
XDH P47989 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.44

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
SCHEMBL111187 0.88 CA12 (0.58) ATAD2CA12CA1CA2CA7
SCHEMBL19477839 0.88 FURIN (0.38) ATAD2KDM4EGAAMAPTALDH1A1
Hydrochloric Acid SCHEMBL111186 0.86 CA12 (0.56) ATAD2CA12CA1CA2CA7
SCHEMBL654773 0.84 CA1 (0.58) ATAD2CA12CA1CA2CA7
SCHEMBL14190699 0.83 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL30938200 0.82 ATAD2 (0.47) ATAD2CA12CA1CA2CA7
SCHEMBL29259919 0.82 ATAD2 (0.47) ATAD2CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL9494959 0.82 CA1 (0.56) ATAD2CA12CA1CA2CA7
SCHEMBL10600019 0.81 CA12 (0.50) ATAD2CA12CA1CA2CA7
SCHEMBL4731090 0.81 CA12 (0.50) ATAD2CA12CA1CA2CA7

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
EP-2277854-B1 Synthesis of iodixanol in 1-methoxy-2-propanol and water or methanol GE HEALTHCARE AS (NO) 2014-06-25 EP disclosed