SCHEMBL9052971

SCHEMBL9052971

CC(=O)C(O)[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.49
PRMT5 O14744 4/20 0.49
WDR77 Q9BQA1 4/20 0.49
ADORA2B P29275 4/20 0.49
ADORA3 P0DMS8 3/20 0.49
ADORA2A P29274 3/20 0.49
ADORA1 P30542 2/20 0.49
HSP90B1 P14625 2/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HIF1A Q16665 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL5498775 0.90 AHCY (0.51) AHCYPRMT5WDR77ADORA2BADORA3
SCHEMBL9155536 0.90 AHCY (0.51) AHCYPRMT5WDR77ADORA2BADORA3
SCHEMBL11884247 0.89 AHCY (0.53) AHCYPRMT5WDR77ADORA2BADORA3
SCHEMBL11884228 0.89 AHCY (0.53) AHCYPRMT5WDR77ADORA2BADORA3
SCHEMBL23478169 0.88 NT5E (0.49) AHCYPRMT5WDR77ADORA2BADORA3
SCHEMBL30950419 0.88 PRMT5 (0.48) AHCYPRMT5WDR77ADORA2BADORA3
SCHEMBL29379600 0.88 NT5E (0.49) AHCYPRMT5WDR77ADORA2BADORA3
SCHEMBL29361839 0.88 NT5E (0.49) AHCYPRMT5WDR77ADORA2BADORA3
SCHEMBL4830646 0.88 PRMT5 (0.51) AHCYPRMT5WDR77ADORA2BADORA3
SCHEMBL10365540 0.87 PRMT5 (0.58) AHCYPRMT5WDR77ADORA2BADORA3

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
WO-1996000585-A1 DIPHOSPHATE OR TRIPHOSPHATE ANALOGUE CONJUGATES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-01-11 WO disclosed