SCHEMBL11409946

SCHEMBL11409946

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)C(=O)N2CCCCC2)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.57
▸ ADORA2B P29275 3/20 0.57
▸ HSP90B1 P14625 2/20 0.57
▸ ADORA2A P29274 2/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ TMEM97 Q5BJF2 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ ADORA3 P0DMS8 3/20 0.56
▸ TSHR P16473 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ ADORA1 P30542 1/20 0.56
▸ PRMT5 O14744 1/20 0.55
▸ WDR77 Q9BQA1 1/20 0.55
▸ METTL3 Q86U44 1/20 0.54
▸ METTL14 Q9HCE5 1/20 0.54

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
SCHEMBL11408621 0.90 METTL3 (0.58) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL11416067 0.86 ADORA2B (0.57) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL11416079 0.86 ADORA2B (0.57) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL29385449 0.84 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL4520806 0.84 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL4520798 0.84 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL30139992 0.84 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL2117335 0.84 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL30139993 0.84 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL1757011 0.84 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A

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
US-4224438-A CARDIOTONIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-09-23 — — US disclosed
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