SCHEMBL28643174

SCHEMBL28643174

C=C(C)C(=O)NCCN(C(=N)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NQO2 P16083 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL8169571 0.80 CA14 (0.35) CA14TDP1CA12CA1CA7
SCHEMBL28323963 0.79 TDP1 (0.51) CA14TDP1MEN1GAAKMT2A
SCHEMBL29850083 0.78 TDP1 (0.38) CA14TDP1MEN1GAAKMT2A
SCHEMBL991812 0.78 CA14 (0.38) CA14TDP1MEN1GAAKMT2A
SCHEMBL9426075 0.77 CA1 (0.35) CA14TDP1MEN1GAAKMT2A
SCHEMBL21664460 0.77 CA14 (0.35) CA14TDP1CA12CA1CA7
SCHEMBL8670353 0.77 CA14 (0.35) CA14TDP1CA12CA1CA7
SCHEMBL30981829 0.76 TDP1 (0.43) CA14TDP1MEN1GAAKMT2A
SCHEMBL1867766 0.75 CA14 (0.35) CA14TDP1MEN1GAAKMT2A
SCHEMBL8884501 0.75 CA1 (0.33) CA14TDP1MEN1GAAKMT2A

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
CN-109569331-B Preparation method of hydrophilic antibacterial filter membrane 万华化学集团股份有限公司 2021-10-22 CN disclosed