SCHEMBL3406174

SCHEMBL3406174

COc1ccc(C(OC[C@H]2O[C@@](C(N)=O)(n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](Oc3ccccc3)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.42
PRMT6 Q96LA8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL3407180 0.92 TYMP (0.40) TYMPPRMT6ADORA2AADORA2B
SCHEMBL28226983 0.80 TYMP (0.48) TYMP
SCHEMBL3411480 0.80 TYMP (0.45) TYMP
SCHEMBL917678 0.78 TYMP (0.67) TYMPP2RY12
SCHEMBL19493363 0.78 TYMP (0.67) TYMPP2RY12
SCHEMBL29679722 0.78 TYMP (0.67) TYMPP2RY12
SCHEMBL19493362 0.78 TYMP (0.67) TYMPP2RY12
SCHEMBL8386141 0.78 TYMP (0.67) TYMPP2RY12
SCHEMBL17304362 0.78 TYMP (0.67) TYMPP2RY12
SCHEMBL917680 0.78 TYMP (0.67) TYMPP2RY12

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-2258709-A1 2'-HYDROXYL-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND MANUFACTURING METHOD OF SAME Kaneka Corporation (JP) 2010-12-08 EP disclosed