SCHEMBL29048586

SCHEMBL29048586

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(N[Ir]N)C(O)C(C)O1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.81
KMT2A Q03164 9/20 0.81
THRB P10828 8/20 0.81
BLM P54132 7/20 0.81
RECQL P46063 6/20 0.81
BRCA1 P38398 6/20 0.81
TOP2A P11388 5/20 0.81
TDP1 Q9NUW8 5/20 0.81
HIF1A Q16665 5/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
MAPT P10636 4/20 0.81
MAPK1 P28482 4/20 0.81
HTT P42858 4/20 0.81
PTGS1 P23219 3/20 0.81
CHRM1 P11229 3/20 0.81
TBXA2R P21731 3/20 0.81
KDM4E B2RXH2 3/20 0.81
ALDH1A1 P00352 3/20 0.81
ABCB1 P08183 3/20 0.81
STAT6 P42226 3/20 0.81

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
SCHEMBL4586684 0.93 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL272961 0.93 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
SCHEMBL43830 0.93 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL16318978 0.92 MEN1 (0.84) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13181351 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL20548043 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL111629 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22970097 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL2369231 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13154315 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL

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
CN-116570731-A Near infrared/glutathione dual-response nanocapsule integrating targeting, controllable drug delivery and photoacoustic imaging and preparation method thereof 清源创新实验室 2023-08-11 CN claimed
CN-116570731-A Near infrared/glutathione dual-response nanocapsule integrating targeting, controllable drug delivery and photoacoustic imaging and preparation method thereof 清源创新实验室 2023-08-11 CN disclosed
CN-116570731-A Near infrared/glutathione dual-response nanocapsule integrating targeting, controllable drug delivery and photoacoustic imaging and preparation method thereof 清源创新实验室 2023-08-11 CN disclosed