SCHEMBL20041577

SCHEMBL20041577

Nc1ncnc2c1ncn2[C@@H]1O[C@]2(COCc3ccccc3)C(OCc3ccccc3)[C@@H]1OC21CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.47
▸ DOT1L Q8TEK3 5/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ P2RY12 Q9H244 2/20 0.41
▸ PDE2A O00408 1/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ P2RY2 P41231 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL18513221 1.00 AHCY (0.47) AHCYDOT1LPRMT5WDR77P2RY12
SCHEMBL18513281 1.00 AHCY (0.47) AHCYDOT1LPRMT5WDR77P2RY12
SCHEMBL18503740 0.90 AHCY (0.47) AHCYDOT1LPRMT5WDR77P2RY12
SCHEMBL18708184 0.90 AHCY (0.47) AHCYDOT1LPRMT5WDR77P2RY12
SCHEMBL24499107 0.82 LMNA (0.39) AHCYDOT1LP2RY12ADORA1
SCHEMBL26626301 0.82 AHCY (0.46) AHCYDOT1LPRMT5WDR77P2RY12
SCHEMBL20041580 0.81 AHCY (0.47) AHCYDOT1LPRMT5WDR77P2RY12
SCHEMBL18513222 0.81 AHCY (0.45) AHCYPRMT5WDR77PI4KAPI4K2B
SCHEMBL24499185 0.80 AHCY (0.46) AHCYDOT1LPRMT5WDR77P2RY12
SCHEMBL24499158 0.79 AHCY (0.47) AHCYDOT1LPRMT5WDR77P2RY12

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-3109254-B1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE UNIV OSAKA (JP) 2018-04-11 — — EP disclosed
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