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Sugi Predict / Compounds / SCHEMBL10633671

SCHEMBL10633671

SCHEMBL10633671

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C(=O)NCCNc1ccc(NCCNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.37
▸ FNTB P49356 4/20 0.37
▸ CTSK P43235 1/20 0.36
▸ MMP7 P09237 1/20 0.35
▸ NPY1R P25929 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ CACNA1F O60840 1/20 0.35

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
SCHEMBL10631065 0.87 NPY1R (0.42) CTSKNPY1RMEN1USP2LMNA
SCHEMBL10633643 0.85 MMP7 (0.42) MMP7NPY1RMEN1USP2LMNA
SCHEMBL10633606 0.85 MEN1 (0.45) NPY1RMEN1USP2LMNATP53
SCHEMBL10703626 0.82 PTPN1 (0.43) CTSKPTPN1
SCHEMBL9211973 0.80 USP2 (0.44) NPY1RMEN1USP2LMNATP53
SCHEMBL10627674 0.80 USP2 (0.44) NPY1RMEN1USP2LMNATP53
SCHEMBL10702797 0.80 MEN1 (0.50) NPY1RMEN1USP2LMNATP53
SCHEMBL10629098 0.80 MEN1 (0.50) NPY1RMEN1USP2LMNATP53
SCHEMBL10704466 0.79 MEN1 (0.47) FNTAFNTBNPY1RMEN1USP2
SCHEMBL10630986 0.78 LTA4H (0.47) CTSKOPRK1

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
EP-0295316-A2 Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones AMERICAN CYANAMID COMPANY (US) 1988-12-21 — — EP disclosed
US-4732970-A Antitumor amino acid and peptide derivatives of 1,4-bis(aminoalkyl and hydroxy-aminoalkyl)amino)-5,8-dihydroxyanthraquinones AMERICAN CYANAMID COMPANY (US) 1988-03-22 — — US disclosed
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