SCHEMBL6899475

SCHEMBL6899475

CCCO[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 9/20 0.56
P2RY12 Q9H244 1/20 0.47
ADORA1 P30542 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45

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
SCHEMBL6898807 0.97 TYMP (0.55) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6894664 0.95 TYMP (0.54) TYMPP2RY12ADORA1
SCHEMBL6900160 0.95 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL30200670 0.95 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6834984 0.95 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL1040958 0.95 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL4464744 0.95 TYMP (0.53) TYMPP2RY12ADORA1
SCHEMBL23650062 0.93 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6513309 0.93 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL30396368 0.93 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B

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-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 EP disclosed