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Dactinomycin

Dactinomycin

SCHEMBL28238143

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(O)C(C)O1.Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O.Cl.Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

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
▸ TOP2A known ✓ P11388 1/20 0.41
▸ RECQL P46063 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ BLM P54132 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ GRB2 P62993 3/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ DDR2 Q16832 1/20 0.54
▸ NGLY1 Q96IV0 1/20 0.54
▸ USP2 O75604 3/20 0.41

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 SCHEMBL27881861 0.93 RECQL (0.62) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28208187 0.93 RECQL (0.62) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL987923 0.91 GRB2 (0.61) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28142059 0.91 GRB2 (0.61) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28182665 0.83 RECQL (0.47) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28212929 0.83 MAPT (0.48) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28201708 0.76 GRB2 (0.66) RECQLMAPTSMN1; SMN2CYP3A4BLM
Daunorubicin SCHEMBL27865503 0.76 MEN1 (0.72) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL6152 0.73 GRB2 (1.00) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL19770615 0.73 GRB2 (1.00) RECQLMAPTSMN1; SMN2CYP3A4BLM

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
CN-108712904-A The solid form of two Fluorakil 100s of 2- (4- chlorphenyls)-N- ((2- (2,6- dioxopiperidine -3- bases) -1- oxoisoindolines -5- bases) methyl) -2,2- and its pharmaceutical composition and purposes 细胞基因公司 2018-10-26 — — CN disclosed
CN-108430473-A Antiproliferative compounds and pharmaceutical compositions and uses thereof 细胞基因公司 2018-08-21 — — CN disclosed