SCHEMBL29540000

SCHEMBL29540000

CC(C)(C)SSCCNCCC(=O)OC1COC(n2cnc3c(N)ncnc32)C1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 3/20 0.47
▸ ADORA3 P0DMS8 4/20 0.44
▸ AHCY P23526 2/20 0.44
▸ PRMT5 O14744 2/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ PRMT7 Q9NVM4 1/20 0.44
▸ ADORA2B P29275 3/20 0.43
▸ HSP90B1 P14625 3/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ TSHR P16473 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TMIGD3 P0DMS9 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL29540248 0.95 DOT1L (0.47) DOT1LADORA3AHCYPRMT5WDR77
SCHEMBL29540557 0.82 DOT1L (0.45) DOT1LADORA3AHCYPRMT5WDR77
SCHEMBL16289825 0.82 DOT1L (0.45) DOT1LADORA3AHCYPRMT5WDR77
SCHEMBL30861853 0.80 HSP90B1 (0.55) ADORA3AHCYADORA2BHSP90B1HSP90AA1
SCHEMBL30744251 0.79 ADORA3 (0.53) DOT1LADORA3AHCYADORA2BHSP90B1
SCHEMBL4314015 0.70 ADORA1 (0.61) ADORA1
SCHEMBL29365543 0.70 P2RY1 (0.55) ADORA1
SCHEMBL25607786 0.70 P2RY1 (0.55) ADORA1
SCHEMBL22799204 0.69 AHCY (0.55) AHCYADORA2BHSP90B1ADORA2A
SCHEMBL16255813 0.69 P2RY1 (0.52) ADORA3AHCYADORA2BADORA1

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
EP-3974563-A1 CYCLIC PEPTIDES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-03-30 — — EP disclosed
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