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Dactinomycin

Dactinomycin

SCHEMBL28201708

CN(C)/N=N/c1[nH]cnc1C(N)=O.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.Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DNMT1DNMT3A

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 18)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 3/20 0.66
▸ MAPT P10636 2/20 0.66
▸ RECQL P46063 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ CASP1 P29466 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ CASP7 P55210 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ DDR2 Q16832 1/20 0.66
▸ NGLY1 Q96IV0 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66

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 SCHEMBL28151285 0.91 GRB2 (0.80) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL4745329 0.91 GRB2 (0.80) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL5322559 0.89 GRB2 (0.67) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28156469 0.84 GRB2 (0.58) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28104308 0.82 GRB2 (0.57) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL6939686 0.81 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL27304406 0.81 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL26186613 0.81 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28168861 0.81 GRB2 (0.99) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28161860 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709355-A Single-chain CD40 receptor agonist proteins 阿珀吉尼科斯股份公司 2018-02-16 — — CN disclosed