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Sugi Predict / Compounds / Dactinomycin

Dactinomycin

Dactinomycin

SCHEMBL72601

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.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

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 3/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ ALDH1A1 P00352 3/20 0.71
▸ MAPT P10636 2/20 0.71
▸ RECQL P46063 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ ALOX15 P16050 2/20 0.71
▸ HTT P42858 2/20 0.71
▸ BLM P54132 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ HIF1A Q16665 2/20 0.71
▸ HSD17B10 Q99714 2/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ PTGS1 P23219 1/20 0.71
▸ CASP1 P29466 1/20 0.71
▸ CASP7 P55210 1/20 0.71
▸ DDR2 Q16832 1/20 0.71
▸ NGLY1 Q96IV0 1/20 0.71
▸ TOP1 P11387 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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 SCHEMBL19770615 0.84 GRB2 (1.00) GRB2SMN1; SMN2ALDH1A1MAPTRECQL
Dactinomycin SCHEMBL6152 0.84 GRB2 (1.00) GRB2SMN1; SMN2ALDH1A1MAPTRECQL
Dactinomycin SCHEMBL2790145 0.84 GRB2 (0.99) GRB2SMN1; SMN2ALDH1A1MAPTRECQL
SCHEMBL17360642 0.79 GRB2 (0.86) GRB2SMN1; SMN2ALDH1A1MAPTRECQL
SCHEMBL13073122 0.79 GRB2 (0.83) GRB2SMN1; SMN2ALDH1A1MAPTRECQL
Dactinomycin SCHEMBL2777524 0.78 GRB2 (0.84) GRB2SMN1; SMN2ALDH1A1MAPTRECQL
Dactinomycin SCHEMBL8010971 0.77 GRB2 (0.82) GRB2SMN1; SMN2ALDH1A1MAPTRECQL
Dactinomycin SCHEMBL3961092 0.77 GRB2 (0.81) GRB2SMN1; SMN2ALDH1A1MAPTRECQL
SCHEMBL23028957 0.76 GRB2 (0.83) GRB2SMN1; SMN2ALDH1A1MAPTRECQL
Dactinomycin SCHEMBL5301910 0.76 GRB2 (0.74) GRB2SMN1; SMN2ALDH1A1MAPTRECQL

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-8128931-B2 Intrathecal and intratumoral superantigens to treat malignant disease TERMAN DAVID S (US) 2012-03-06 — — US claimed
US-20100196373-A1 native staphylococcal enterotoxin or streptococcal pyrogenic exotoxin protein, stimulates T cell mitogensis; fusion proteins; carcinomas; combination therapy TERMAN DAVID S 2010-08-05 — — US claimed