Dactinomycin

Dactinomycin

SCHEMBL6939686

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.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 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 3/20 1.00
MAPT P10636 2/20 1.00
RECQL P46063 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
ABCB11 O95342 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP3A4 P08684 1/20 1.00
ALOX15 P16050 1/20 1.00
PTGS1 P23219 1/20 1.00
CASP1 P29466 1/20 1.00
HTT P42858 1/20 1.00
BLM P54132 1/20 1.00
CASP7 P55210 1/20 1.00
KMT2A Q03164 1/20 1.00
HIF1A Q16665 1/20 1.00
DDR2 Q16832 1/20 1.00
NGLY1 Q96IV0 1/20 1.00
HSD17B10 Q99714 1/20 1.00

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 SCHEMBL3844 1.00 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL26186613 1.00 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL13659669 1.00 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL27304406 1.00 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL3845 1.00 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL6152 1.00 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL19770615 1.00 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28168861 0.99 GRB2 (0.99) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL2790145 0.99 GRB2 (0.99) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28161860 0.99 GRB2 (0.98) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
EP-1286704-A2 ETHYLENEDICYSTEINE (EC)-DRUG CONJUGATES Board of Regents, The University of Texas System (US) 2003-03-05 EP disclosed
WO-2001091807-A2 ETHYLENEDICYSTEINE (EC)-DRUG CONJUGATES BOARD OF REGENTS (US) 2001-12-06 WO disclosed