SCHEMBL6515020

SCHEMBL6515020

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

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMP P19971 14/20 0.49
ADORA1 P30542 2/20 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
SCHEMBL261566 0.92 TYMP (0.50) TYMPADORA1
SCHEMBL7651830 0.90 TYMP (0.60) TYMPADORA1
SCHEMBL7917669 0.88 TYMP (0.45) TYMPADORA1
SCHEMBL7261556 0.85 TYMP (0.50) TYMPADORA1
SCHEMBL21552277 0.83 TYMP (0.52) TYMPADORA1
SCHEMBL21552279 0.83 TYMP (0.52) TYMPADORA1
SCHEMBL261395 0.82 TYMP (0.46) TYMPADORA1
SCHEMBL29531167 0.82 TYMP (0.46) TYMPADORA1
SCHEMBL1918760 0.82 TYMP (0.45) TYMP
SCHEMBL29254560 0.82 TYMP (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153911-A1 Antisense modulation of extracellular-signal-regulated kinase-6 expression ISIS PHARMACEUTICALS, INC (US) 2005-07-14 US disclosed