SCHEMBL10603307

SCHEMBL10603307

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.77
▸ KMT2A Q03164 9/20 0.77
▸ THRB P10828 8/20 0.77
▸ BLM P54132 7/20 0.77
▸ RECQL P46063 6/20 0.77
▸ TOP2A P11388 5/20 0.77
▸ TDP1 Q9NUW8 5/20 0.77
▸ HIF1A Q16665 5/20 0.77
▸ SMN1; SMN2 Q16637 5/20 0.77
▸ BRCA1 P38398 5/20 0.77
▸ MAPT P10636 4/20 0.77
▸ MAPK1 P28482 4/20 0.77
▸ HTT P42858 4/20 0.77
▸ PTGS1 P23219 3/20 0.77
▸ CHRM1 P11229 3/20 0.77
▸ TBXA2R P21731 3/20 0.77
▸ KDM4E B2RXH2 3/20 0.77
▸ ALDH1A1 P00352 3/20 0.77
▸ ABCB1 P08183 3/20 0.77
▸ FYN P06241 2/20 0.77

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
SCHEMBL27841609 0.94 MEN1 (0.78) MEN1KMT2ATHRBBLMRECQL
SCHEMBL10608064 0.94 S100A4 (0.78) MEN1KMT2ATHRBBLMRECQL
SCHEMBL18738448 0.94 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL5579440 0.94 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL28664779 0.93 MEN1 (0.78) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL27869989 0.93 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL9028767 0.92 MEN1 (0.79) MEN1KMT2ATHRBBLMRECQL
SCHEMBL43830 0.92 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL28641404 0.92 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL27907464 0.92 MEN1 (0.78) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209541-B1 OPEN CHAIN-MORPHOLINO ADRIAMYCINS SRI INTERNATIONAL (US) 1989-10-11 — — EP claimed
EP-0209541-A1 OPEN CHAIN-MORPHOLINO ADRIAMYCINS. STANFORD RES INST INT (US) 1987-01-28 — — EP claimed
WO-1986004332-A1 OPEN CHAIN-MORPHOLINO ADRIAMYCINS SRI INTERNATIONAL (US) 1986-07-31 — — WO claimed
US-4591637-A Open chain-morpholino adriamycins SRI INTERNATIONAL (US) 1986-05-27 — — US claimed
CN-105056233-B Multi-functional mesoporous silicon dioxide nano particle with near-infrared photo-thermal and internal fluorescence imaging characteristic and its preparation method and application 苏州大学 2018-03-13 — — CN disclosed
EP-0209541-A1 OPEN CHAIN-MORPHOLINO ADRIAMYCINS. STANFORD RES INST INT (US) 1987-01-28 — — EP disclosed
WO-1986004332-A1 OPEN CHAIN-MORPHOLINO ADRIAMYCINS SRI INTERNATIONAL (US) 1986-07-31 — — WO disclosed
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