SCHEMBL8410461

SCHEMBL8410461

COC(=O)c1cc(N)cc(-c2cc(N)cc(C(=O)OC)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.60
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
KDM4E B2RXH2 4/20 0.50
GAA P10253 4/20 0.50
XDH P47989 2/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FUT7 Q11130 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CNR2 P34972 2/20 0.49

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
SCHEMBL8410464 0.93 ATAD2 (0.55) ATAD2CA12CA1CA2CA9
SCHEMBL2723920 0.89 TSHR (0.53) ATAD2CA12CA1CA2CA9
SCHEMBL654773 0.89 CA1 (0.58) ATAD2CA12CA1CA2CA9
SCHEMBL111187 0.89 CA12 (0.58) ATAD2CA12CA1CA2CA9
SCHEMBL310741 0.88 ATAD2 (0.58) ATAD2CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL9494959 0.87 CA1 (0.56) ATAD2CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL111186 0.87 CA12 (0.56) ATAD2CA12CA1CA2CA9
SCHEMBL18172349 0.87 MAPT (0.50) ATAD2CA12CA1CA2CA9
SCHEMBL21253164 0.87 ATAD2 (0.50) ATAD2CA12CA1CA2CA9
SCHEMBL2685786 0.87 ATAD2 (0.53) ATAD2CA12CA1CA2CA9

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
EP-0714879-B1 Biphenyl iodinated derivatives and their diagnostic use BRACCO SPA (IT) 1999-08-04 EP disclosed
US-5663413-A X-RAY CONTRAST DIBRA S.P.A. (IT) 1997-09-02 US disclosed
EP-0714879-A1 Biphenyl iodinated derivatives and their diagnostic use BRACCO S.p.A. (IT) 1996-06-05 EP disclosed