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Carubicin

Carubicin

SCHEMBL23300868

CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O.CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 1.00
▸ THRB P10828 9/20 1.00
▸ KMT2A Q03164 9/20 1.00
▸ BLM P54132 8/20 1.00
▸ RECQL P46063 7/20 1.00
▸ MAPT P10636 6/20 1.00
▸ HTT P42858 5/20 1.00
▸ TDP1 Q9NUW8 5/20 1.00
▸ APEX1 P27695 3/20 1.00
▸ BRCA1 P38398 6/20 0.87
▸ SMN1; SMN2 Q16637 6/20 0.87
▸ HIF1A Q16665 6/20 0.87
▸ MAPK1 P28482 5/20 0.87
▸ S100A4 P26447 5/20 0.87
▸ CYP3A4 P08684 4/20 0.87
▸ USP2 O75604 4/20 0.87
▸ CYP1A2 P05177 4/20 0.87
▸ CHRM1 P11229 4/20 0.87
▸ TOP2A P11388 4/20 0.87
▸ STAT6 P42226 4/20 0.87

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
Carubicin SCHEMBL9552 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Carubicin SCHEMBL6343014 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Carubicin SCHEMBL29362266 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Carubicin SCHEMBL12202628 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Carubicin SCHEMBL6343007 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Carubicin SCHEMBL1650594 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Carubicin SCHEMBL18389599 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Carubicin SCHEMBL29357994 0.99 MEN1 (0.98) MEN1THRBKMT2ABLMRECQL
Carubicin SCHEMBL29355094 0.99 MEN1 (0.98) MEN1THRBKMT2ABLMRECQL
Carubicin SCHEMBL4201 0.99 MEN1 (0.98) MEN1THRBKMT2ABLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021110085-A1 METHOD FOR ASSOCIATING WITH EXPRESSION LEVEL OF AKR1C3 ENZYME VIA CONTENT OF PROSTAGLANDIN, AND USE OF SCREENING FOR DRUG ADMINISTRATION 深圳艾欣达伟医药科技有限公司 2021-06-10 — — WO claimed
WO-2021083310-A1 ANTI-CANCER COMPOUNDS ACTING AS NON-PGP SUBSTRATE 深圳艾欣达伟医药科技有限公司 2021-05-06 — — WO claimed
WO-2021110085-A1 METHOD FOR ASSOCIATING WITH EXPRESSION LEVEL OF AKR1C3 ENZYME VIA CONTENT OF PROSTAGLANDIN, AND USE OF SCREENING FOR DRUG ADMINISTRATION 深圳艾欣达伟医药科技有限公司 2021-06-10 — — WO disclosed
WO-2021083310-A1 ANTI-CANCER COMPOUNDS ACTING AS NON-PGP SUBSTRATE 深圳艾欣达伟医药科技有限公司 2021-05-06 — — WO disclosed