SCHEMBL4464738

SCHEMBL4464738

COc1ccc(C(OC[C@H]2O[C@@](C(=O)c3ccccc3)(n3cnc4c(N)ncnc43)[C@H](SC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.45
ADORA1 P30542 2/20 0.42
TRDMT1 O14717 1/20 0.38
NT5E P21589 1/20 0.38
CARM1 Q86X55 1/20 0.38
NNMT P40261 2/20 0.38
GNMT Q14749 1/20 0.35
EGFR P00533 1/20 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
SCHEMBL28226983 0.92 TYMP (0.48) TYMPADORA1TRDMT1NT5ECARM1
SCHEMBL4451633 0.83 ADORA3 (0.43) ADORA1GNMTEGFR
SCHEMBL29521058 0.78 TYMP (0.41) TYMPADORA1TRDMT1NT5ECARM1
SCHEMBL3406174 0.77 TYMP (0.42) TYMP
SCHEMBL16401780 0.76 TYMP (0.45) TYMPADORA1TRDMT1NT5ECARM1
SCHEMBL29812366 0.76 ADORA1 (0.44) TYMPADORA1NT5EEGFR
SCHEMBL3407180 0.75 TYMP (0.40) TYMPEGFR
SCHEMBL8144937 0.75 TYMP (0.39) TYMPADORA1TRDMT1NT5ECARM1
SCHEMBL337874 0.75 ADORA3 (0.45) ADORA1TRDMT1NNMT
SCHEMBL15752965 0.74 EGFR (0.43) ADORA1NT5EGNMTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198047-A1 2'-Modified Oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
US-20080032945-A1 2'-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-7138517-B2 Sugar modified oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-20030187240-A1 2' -modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-10-02 US disclosed
US-20030004325-A1 Sugar modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-6005087-A NUCLEASE RESISTANT OLIGONUCLEOTIDES WHICH ARE USEFUL AS THERAPEUTICS, DIAGNOSTICS, AND RESEARCH REAGENTS FOR VARIOUS VIRAL DISEASES ISIS PHARMACEUTICALS, INC. (US) 1999-12-21 US disclosed
US-5872232-A 2'-O-modified oligonucleotides ISIS PHARMACEUTICALS INC. (US) 1999-02-16 US disclosed
US-5859221-A HYBRID DNA, RNA; NUCLEASE RESISTANT ISIS PHARMACEUTICALS, INC. (US) 1999-01-12 US disclosed