SCHEMBL31167390

SCHEMBL31167390

COC1(OC)C=CC(C(OC[C@H]2O[C@@H](n3ccc4c(NC(=O)c5ccccc5)ncnc43)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccccc2)=CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NT5E P21589 5/20 0.38
METTL3 Q86U44 4/20 0.38
PRMT5 O14744 2/20 0.37
ADK P55263 1/20 0.37
TYMP P19971 5/20 0.37
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL31154631 0.87 ADORA3 (0.36) NT5EPRMT5WDR77
SCHEMBL31170884 0.87 PRMT5 (0.32) PRMT5ADKTYMPWDR77
SCHEMBL31154633 0.84 PRMT5 (0.31) PRMT5ADKTYMPWDR77
SCHEMBL31170866 0.83 PRMT5 (0.31) PRMT5WDR77
SCHEMBL31236230 0.82 PRMT5 (0.34) PRMT5ADKWDR77
SCHEMBL31032031 0.81 TYMP (0.43) TYMP
SCHEMBL30837638 0.80 TYMP (0.41) TYMP
SCHEMBL31167389 0.79 NT5E (0.38) NT5ETYMP
SCHEMBL30079948 0.79 TYMP (0.49) TYMP
SCHEMBL31170853 0.79 TYMP (0.38) TYMP

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
CN-118834256-A 7-Denitrification-2 '-deoxidization-2' -fluoroadenosine phosphoramidite monomer and synthesis method thereof 江苏合甘元生物科技有限公司 2024-10-25 CN disclosed