Nonactin

Nonactin

SCHEMBL8750347

C[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1.Nc1ncnc2c1ncn2[C@@H]1O[C@](F)(COS(N)(=O)=O)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ AHCY P23526 1/20 0.42
▸ RXFP1 Q9HBX9 3/20 0.40
▸ HSP90B1 P14625 3/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3B Q13370 1/20 0.40

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
SCHEMBL3980534 0.82 PRMT5 (0.54) PRMT5WDR77AHCYHSP90B1ADORA3
SCHEMBL29712359 0.82 PRMT5 (0.54) PRMT5WDR77AHCYHSP90B1ADORA3
SCHEMBL3978671 0.82 PRMT5 (0.54) PRMT5WDR77AHCYHSP90B1ADORA3
SCHEMBL3978681 0.82 PRMT5 (0.54) PRMT5WDR77AHCYHSP90B1ADORA3
SCHEMBL13844404 0.69 PRMT5 (0.61) PRMT5WDR77AHCYADORA3ADORA2A
SCHEMBL15828310 0.68 P2RX1 (0.63) ADORA1PDE4DPDE3A
SCHEMBL15828228 0.68 P2RX1 (0.63) ADORA1PDE4DPDE3A
SCHEMBL31725331 0.66 AHCY (0.53) PRMT5WDR77AHCYHSP90B1ADORA3
SCHEMBL21015672 0.66 AHCY (0.50) AHCYADORA2B
SCHEMBL28030977 0.64 PRMT5 (0.57) PRMT5WDR77AHCYHSP90B1ADORA3

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-0765400-A1 SCREEN FOR INHIBITORS OF CHITINASE AMERICAN CYANAMID COMPANY (US) 1997-04-02 — — EP disclosed
WO-1995034678-A1 SCREEN FOR INHIBITORS OF CHITINASE AMERICAN CYANAMID COMPANY (US) 1995-12-21 — — WO disclosed
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