SCHEMBL7615063

SCHEMBL7615063

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)nc(F)nc43)C(OC)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 7/20 0.59
ADORA1 P30542 2/20 0.51
CA5A P35218 1/20 0.49
NT5E P21589 6/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
ADORA2A P29274 2/20 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
SCHEMBL7615059 1.00 TYMP (0.59) TYMPADORA1CA5ANT5ELMNA
SCHEMBL7895839 0.93 TYMP (0.69) TYMPADORA1CA5ANT5ELMNA
SCHEMBL7615405 0.93 TYMP (0.57) TYMPADORA1CA5ANT5ELMNA
SCHEMBL7615396 0.93 TYMP (0.57) TYMPADORA1CA5ANT5ELMNA
SCHEMBL7896974 0.92 TYMP (0.56) TYMPADORA1CA5ANT5ELMNA
SCHEMBL7746133 0.92 TYMP (0.56) TYMPADORA1CA5ANT5ELMNA
SCHEMBL1895609 0.92 TYMP (0.60) TYMPADORA1NT5E
SCHEMBL1895610 0.92 TYMP (0.60) TYMPADORA1NT5E
SCHEMBL18042131 0.88 ADORA1 (0.64) TYMPADORA1NT5E
SCHEMBL8609998 0.88 CA5A (0.54) TYMPADORA1CA5ANT5ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198592-A4 OLIGONUCLEOTIDES INCORPORATING BOTH 2-AMINOADENINE AND 5-SUBSTITUTED PYRIMIDINES ISIS PHARMACEUTICALS INC (US) 2002-09-18 EP disclosed
EP-1198592-A1 OLIGONUCLEOTIDES INCORPORATING BOTH 2-AMINOADENINE AND 5-SUBSTITUTED PYRIMIDINES ISIS PHARMACEUTICALS, INC. (US) 2002-04-24 EP disclosed
EP-1109825-A4 IMPROVED PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES INCORPORATING 2-AMINOADENOSINE ISIS PHARMACEUTICALS INC (US) 2001-09-05 EP disclosed
EP-1109825-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES INCORPORATING 2-AMINOADENOSINE ISIS PHARMACEUTICALS, INC. (US) 2001-06-27 EP disclosed
US-6175004-B1 REACTING AN OLIGONUCLEOTIDE COMPRISING A HALOGENATED PURINE NUCLEOSIDE WITH AMINE; FOR STRONGER HYBRIDIZATION; DIAGNOSIS; GENETIC ENGINEERING; ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. 2001-01-16 US disclosed
WO-2001002608-A1 OLIGONUCLEOTIDES INCORPORATING BOTH 2-AMINOADENINE AND 5-SUBSTITUTED PYRIMIDINES ISIS PHARMACEUTICALS, INC. (US) 2001-01-11 WO disclosed
WO-2000012563-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES INCORPORATING 2-AMINOADENOSINE ISIS PHARMACEUTICALS, INC. (US) 2000-03-09 WO disclosed