SCHEMBL7871248

SCHEMBL7871248

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.63
ADORA1 P30542 2/20 0.54
POLB P06746 1/20 0.53
ENPP1 P22413 3/20 0.52
P2RY1 P47900 1/20 0.52
HIF1A Q16665 1/20 0.44
NT5E P21589 1/20 0.44

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
SCHEMBL29529385 1.00 TYMP (0.63) TYMPADORA1POLBENPP1P2RY1
SCHEMBL29574745 1.00 TYMP (0.63) TYMPADORA1POLBENPP1P2RY1
SCHEMBL1774839 1.00 TYMP (0.63) TYMPADORA1POLBENPP1P2RY1
SCHEMBL1774838 1.00 TYMP (0.63) TYMPADORA1POLBENPP1P2RY1
SCHEMBL7065756 0.93 TYMP (0.71) TYMPADORA1POLBENPP1P2RY1
SCHEMBL7065752 0.93 TYMP (0.71) TYMPADORA1POLBENPP1P2RY1
SCHEMBL18817976 0.93 TYMP (0.58) TYMPADORA1POLBENPP1P2RY1
SCHEMBL18486220 0.90 TYMP (0.62) TYMPADORA1POLBENPP1P2RY1
SCHEMBL4820943 0.89 TYMP (0.50) TYMPADORA1POLBENPP1P2RY1
SCHEMBL22216348 0.88 PNP (0.59) TYMPADORA1NT5E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329346-B1 POLYNUCLEOTIDES WITH CARRIERS ROCHE DIAGNOSTICS GMBH (DE) 2001-12-11 US disclosed
EP-0611373-B1 OLIGO-2'-DEOXYNUCLEOTIDES AND THEIR USE AS DRUGS WITH AN ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1997-03-26 EP disclosed