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Dactinomycin

Dactinomycin

SCHEMBL28212929

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)c1ccccc1C3=O.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(O)C(C)O1.Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21.O=C1c2c(O)cccc2-c2nn(CCNCCO)c3ccc(NCCNCCO)c1c23

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Dactinomycin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A known ✓ P11388 2/20 0.39
▸ MAPT P10636 4/20 0.48
▸ RECQL P46063 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HIF1A Q16665 4/20 0.48
▸ GRB2 P62993 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ BLM P54132 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ DDR2 Q16832 1/20 0.48
▸ NGLY1 Q96IV0 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.39

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
Dactinomycin SCHEMBL28142059 0.89 GRB2 (0.61) MAPTRECQLSMN1; SMN2HIF1AGRB2
Dactinomycin SCHEMBL987923 0.89 GRB2 (0.61) MAPTRECQLSMN1; SMN2HIF1AGRB2
Dactinomycin SCHEMBL27881861 0.88 RECQL (0.62) MAPTRECQLSMN1; SMN2HIF1AGRB2
Dactinomycin SCHEMBL4018041 0.88 RECQL (0.62) MAPTRECQLSMN1; SMN2HIF1AGRB2
Dactinomycin SCHEMBL28208187 0.88 RECQL (0.62) MAPTRECQLSMN1; SMN2HIF1AGRB2
Dactinomycin SCHEMBL28284517 0.84 GRB2 (0.68) MAPTRECQLSMN1; SMN2HIF1AGRB2
Dactinomycin SCHEMBL28238143 0.83 RECQL (0.54) MAPTRECQLSMN1; SMN2HIF1AGRB2
Dactinomycin SCHEMBL28182665 0.79 RECQL (0.47) MAPTRECQLSMN1; SMN2HIF1AGRB2
Pirarubicin SCHEMBL22319218 0.71 MEN1 (0.69) MAPTRECQLSMN1; SMN2HIF1AALDH1A1
Daunorubicin SCHEMBL27887650 0.69 MEN1 (0.77) MAPTRECQLSMN1; SMN2HIF1AALDH1A1

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
CN-107849142-A Antagonistic anti-tumor necrosis factor receptor superfamily antibodies 综合医院公司 2018-03-27 — — CN disclosed