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Dactinomycin

Dactinomycin

SCHEMBL5301910

CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.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 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1ESR2

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
▸ ESR1 known ✓ P03372 1/20 0.30
▸ GRB2 P62993 3/20 0.74
▸ MAPT P10636 2/20 0.74
▸ RECQL P46063 2/20 0.74
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ ABCB11 O95342 1/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ CYP3A4 P08684 1/20 0.74
▸ ALOX15 P16050 1/20 0.74
▸ PTGS1 P23219 1/20 0.74
▸ CASP1 P29466 1/20 0.74
▸ HTT P42858 1/20 0.74
▸ BLM P54132 1/20 0.74
▸ CASP7 P55210 1/20 0.74
▸ KMT2A Q03164 1/20 0.74
▸ HIF1A Q16665 1/20 0.74
▸ DDR2 Q16832 1/20 0.74
▸ NGLY1 Q96IV0 1/20 0.74
▸ HSD17B10 Q99714 1/20 0.74
▸ LMNA P02545 1/20 0.31

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 SCHEMBL26186613 0.86 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL27304406 0.86 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL6152 0.86 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL19770615 0.86 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28168861 0.86 GRB2 (0.99) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28161860 0.85 GRB2 (0.98) GRB2MAPTRECQLSMN1; SMN2ABCB11
SCHEMBL29885674 0.84 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
SCHEMBL29353226 0.84 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
SCHEMBL29477195 0.83 GRB2 (0.94) GRB2MAPTRECQLSMN1; SMN2ABCB11
SCHEMBL21090962 0.83 GRB2 (0.94) 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-2007011415-A2 RHOB VARIANTS AND METHODS COMPRISING THE USE THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2007-01-25 — — WO disclosed