SCHEMBL19414906

SCHEMBL19414906

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCc2ccc(NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)C(C)C)cc2)[C@H](O)[C@H](C)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.61
▸ KMT2A Q03164 8/20 0.61
▸ THRB P10828 7/20 0.61
▸ BLM P54132 6/20 0.61
▸ TOP2A P11388 5/20 0.61
▸ RECQL P46063 5/20 0.61
▸ TDP1 Q9NUW8 5/20 0.61
▸ HIF1A Q16665 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ BRCA1 P38398 4/20 0.61
▸ HTT P42858 4/20 0.61
▸ PTGS1 P23219 3/20 0.61
▸ CHRM1 P11229 3/20 0.61
▸ TBXA2R P21731 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ ABCB1 P08183 3/20 0.61
▸ ABCC1 P33527 3/20 0.61

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
SCHEMBL17775622 0.93 MEN1 (0.64) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17775703 0.91 MEN1 (0.69) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17302757 0.90 MEN1 (0.57) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL15456987 0.90 MEN1 (0.60) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL19414854 0.90 FOLH1 (0.56) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17302759 0.90 MEN1 (0.59) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL2632573 0.89 MEN1 (0.61) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17302755 0.89 MEN1 (0.56) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL15482092 0.88 MEN1 (0.61) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17302758 0.88 HSP90AA1 (0.56) MEN1KMT2ATHRBBLMTOP2A

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
US-9775914-B2 Prodrugs activated by caspase PHAROSGEN CO., LTD. (KR) 2017-10-03 — — US disclosed
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