SCHEMBL8884501

SCHEMBL8884501

CC(C)(C)OC(=O)NC(=N)N(CCCBr)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.33
CA12 O43570 3/20 0.33
CA14 Q9ULX7 2/20 0.33
CA7 P43166 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 3/20 0.32
AKT1 P31749 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CA9 Q16790 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL8884884 0.94 CA14 (0.35) CA1CA12CA14CA7TDP1
SCHEMBL991812 0.90 CA14 (0.38) CA1CA12CA14CA7TDP1
SCHEMBL30981829 0.87 TDP1 (0.43) CA1CA12CA14CA7TDP1
SCHEMBL5846389 0.86 CA14 (0.33) CA1CA12CA14CA7TDP1
SCHEMBL28495713 0.86 TDP1 (0.45) CA1CA12CA14CA7TDP1
SCHEMBL2905982 0.84 MEN1 (0.33) CA1CA12CA14CA7TDP1
SCHEMBL3488586 0.84 TDP1 (0.48) CA1CA12CA14CA7TDP1
SCHEMBL28323963 0.84 TDP1 (0.51) CA1CA12CA14TDP1CA2
SCHEMBL8886749 0.84 TDP1 (0.48) CA1CA12CA14CA7TDP1
SCHEMBL29850083 0.84 TDP1 (0.38) CA1CA12CA14CA7TDP1

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
US-5627194-A FOR TREATING HERPES VIRUS INFECTIONS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-05-06 US disclosed