Dactinomycin

Dactinomycin

SCHEMBL2190255

CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12.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

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
GRB2 P62993 3/20 0.71
MAPT P10636 3/20 0.71
RECQL P46063 2/20 0.71
ALDH1A1 P00352 2/20 0.71
CYP3A4 P08684 2/20 0.71
HTT P42858 2/20 0.71
KMT2A Q03164 2/20 0.71
ABCB11 O95342 1/20 0.71
ALOX15 P16050 1/20 0.71
PTGS1 P23219 1/20 0.71
CASP1 P29466 1/20 0.71
BLM P54132 1/20 0.71
CASP7 P55210 1/20 0.71
HIF1A Q16665 1/20 0.71
DDR2 Q16832 1/20 0.71
NGLY1 Q96IV0 1/20 0.71
HSD17B10 Q99714 1/20 0.71
TDP1 Q9NUW8 2/20 0.39
IDO1 P14902 1/20 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 SCHEMBL20771836 0.92 SMN1; SMN2 (0.60) SMN1; SMN2GRB2MAPTRECQLALDH1A1
Dactinomycin SCHEMBL3844 0.84 GRB2 (1.00) SMN1; SMN2GRB2MAPTRECQLALDH1A1
Dactinomycin SCHEMBL26186613 0.84 GRB2 (1.00) SMN1; SMN2GRB2MAPTRECQLALDH1A1
Dactinomycin SCHEMBL27304406 0.84 GRB2 (1.00) SMN1; SMN2GRB2MAPTRECQLALDH1A1
Dactinomycin SCHEMBL3845 0.84 GRB2 (1.00) SMN1; SMN2GRB2MAPTRECQLALDH1A1
Dactinomycin SCHEMBL19770615 0.84 GRB2 (1.00) SMN1; SMN2GRB2MAPTRECQLALDH1A1
Dactinomycin SCHEMBL6152 0.84 GRB2 (1.00) SMN1; SMN2GRB2MAPTRECQLALDH1A1
Dactinomycin SCHEMBL13659669 0.84 GRB2 (1.00) SMN1; SMN2GRB2MAPTRECQLALDH1A1
Dactinomycin SCHEMBL6939686 0.84 GRB2 (1.00) SMN1; SMN2GRB2MAPTRECQLALDH1A1
Dactinomycin SCHEMBL28168861 0.84 GRB2 (0.99) SMN1; SMN2GRB2MAPTRECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 SMN1; SMN2 4555/4885GRB2 3825/4885MAPT 2746/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.