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Dactinomycin

Dactinomycin

SCHEMBL8010971

Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O.NCCCNCCSP(=O)(O)O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 3/20 0.82
▸ MAPT P10636 2/20 0.82
▸ RECQL P46063 2/20 0.82
▸ SMN1; SMN2 Q16637 2/20 0.82
▸ ABCB11 O95342 1/20 0.82
▸ ALDH1A1 P00352 1/20 0.82
▸ CYP3A4 P08684 1/20 0.82
▸ ALOX15 P16050 1/20 0.82
▸ PTGS1 P23219 1/20 0.82
▸ CASP1 P29466 1/20 0.82
▸ HTT P42858 1/20 0.82
▸ BLM P54132 1/20 0.82
▸ CASP7 P55210 1/20 0.82
▸ KMT2A Q03164 1/20 0.82
▸ HIF1A Q16665 1/20 0.82
▸ DDR2 Q16832 1/20 0.82
▸ NGLY1 Q96IV0 1/20 0.82
▸ HSD17B10 Q99714 1/20 0.82

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 SCHEMBL13659669 0.91 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL27304406 0.91 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL26186613 0.91 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL3845 0.91 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL19770615 0.91 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL3844 0.91 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL6939686 0.91 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL6152 0.91 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28168861 0.90 GRB2 (0.99) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL2790145 0.90 GRB2 (0.99) GRB2MAPTRECQLSMN1; SMN2ABCB11

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
WO-2000040201-A2 METHOD AND MEANS FOR REDUCING CHEMOTHERAPEUTIC DRUG RESISTANCE IN-SITU WITHIN NEOPLASMS OF EPITHELIAL CELL ORIGIN BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2000-07-13 — — WO disclosed