SCHEMBL7651830

SCHEMBL7651830

CCc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@@H](O)[C@H]2O)c(=O)nc1N

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMP P19971 14/20 0.60
ADORA1 P30542 2/20 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
SCHEMBL5954788 0.91 TYMP (0.61) TYMPADORA1
SCHEMBL6515020 0.90 TYMP (0.49) TYMPADORA1
SCHEMBL5710025 0.85 TYMP (0.62) TYMP
SCHEMBL10675834 0.84 TYMP (0.69) TYMPADORA1
SCHEMBL10675839 0.84 TYMP (0.69) TYMPADORA1
SCHEMBL6065320 0.84 TYMP (0.56) TYMPADORA1
SCHEMBL6751815 0.83 TYMP (0.62) TYMP
SCHEMBL21552223 0.83 TYMP (0.52) TYMP
SCHEMBL21552224 0.83 TYMP (0.52) TYMP
SCHEMBL21552279 0.83 TYMP (0.52) TYMPADORA1

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
EP-1165145-A1 ANTISENSE MODULATION OF MDMX EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2002-01-02 EP disclosed
WO-2000061193-A1 ANTISENSE MODULATION OF MDMX EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2000-10-19 WO disclosed