SCHEMBL21079119

SCHEMBL21079119

O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S

nearest known ligand 0.93

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.93
PKM P14618 1/20 0.93
KMT2A Q03164 1/20 0.93
MCL1 Q07820 1/20 0.93
TDP1 Q9NUW8 1/20 0.93
HIF1AN Q9NWT6 1/20 0.89
MAP3K5 Q99683 12/20 0.82

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
SCHEMBL26458799 0.96 MEN1 (1.00) MEN1PKMKMT2AMCL1TDP1
Claficapavir SCHEMBL12697026 0.94 HIF1AN (1.00) MEN1PKMKMT2AMCL1TDP1
Claficapavir SCHEMBL6789043 0.94 HIF1AN (1.00) MEN1PKMKMT2AMCL1TDP1
Claficapavir SCHEMBL13326245 0.94 HIF1AN (1.00) MEN1PKMKMT2AMCL1TDP1
SCHEMBL15827151 0.90 MAP3K5 (0.79) MEN1PKMKMT2AMCL1TDP1
SCHEMBL14860012 0.90 MAP3K5 (0.79) MEN1PKMKMT2AMCL1TDP1
SCHEMBL14860010 0.90 MAP3K5 (0.79) MEN1PKMKMT2AMCL1TDP1
SCHEMBL8290399 0.89 MAP3K5 (0.79) MEN1PKMKMT2AMCL1TDP1
SCHEMBL13056328 0.88 HIF1AN (0.81) MEN1PKMKMT2AMCL1TDP1
SCHEMBL3892576 0.88 HIF1AN (0.81) MEN1PKMKMT2AMCL1TDP1

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
EP-3243513-B1 USE OF THE RNASE INHIBITOR RNPA-3000 FOR TREATING STAPHYLOCOCCUS INFECTIONS UNIV ROCHESTER (US) 2019-06-05 EP disclosed