SCHEMBL8410464

SCHEMBL8410464

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.55
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL8410461 0.93 ATAD2 (0.60) ATAD2KDM4EALDH1A1CA12CA1
SCHEMBL2205901 0.91 KDM4E (0.50) ATAD2KDM4EALDH1A1CA12CA1
SCHEMBL2723920 0.86 TSHR (0.53) ATAD2KDM4EALDH1A1CA12CA1
SCHEMBL1142393 0.84 KDM4E (0.50) KDM4EALDH1A1CA12CA1CA2
SCHEMBL654773 0.82 CA1 (0.58) ATAD2KDM4EALDH1A1CA12CA1
SCHEMBL111187 0.82 CA12 (0.58) ATAD2KDM4EALDH1A1CA12CA1
SCHEMBL310741 0.81 ATAD2 (0.58) ATAD2KDM4EALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL111186 0.81 CA12 (0.56) ATAD2KDM4EALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL9494959 0.81 CA1 (0.56) ATAD2KDM4EALDH1A1CA12CA1
SCHEMBL9121827 0.80 CA12 (0.60) KDM4EALDH1A1CA12CA1CA2

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