SCHEMBL5505769

SCHEMBL5505769

COC(=O)c1cc(O)cc(CC(C)C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA12 O43570 5/20 0.53
CA7 P43166 5/20 0.53
CA9 Q16790 5/20 0.53
CA14 Q9ULX7 5/20 0.53
SLC7A5 Q01650 2/20 0.44
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
XDH P47989 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FUT7 Q11130 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL5247377 0.84 SLC7A5 (0.43) CA1CA2CA12CA7CA9
SCHEMBL5506080 0.84 SLC7A5 (0.46) CA1CA2CA12CA7CA9
SCHEMBL2319081 0.83 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL2859259 0.80 SLC7A5 (0.60) SLC7A5KDM4EHPGDLOXL2MRGPRX4
SCHEMBL5507004 0.80 LMNA (0.53) SLC7A5LMNAHPGDMRGPRX4
SCHEMBL5264624 0.79 SLC7A5 (0.39) CA1CA2CA12CA7CA9
SCHEMBL90400 0.76 CA1 (0.70) CA1CA2CA12CA7CA9
SCHEMBL710342 0.75 CA12 (0.68) CA1CA2CA12CA7CA9
SCHEMBL11690126 0.73 CA12 (0.51) CA1CA2CA12CA7CA9
SCHEMBL14102418 0.73 SLC7A5 (0.54) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828147-A1 QUINOXALINES AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2006040568-A1 QUINOXALINES AS B RAF INHIBITORS ASTRAZENECA AB (SE) 2006-04-20 WO disclosed