SCHEMBL7607071

SCHEMBL7607071

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)nc(F)nc43)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.59
LMNA P02545 2/20 0.46
PNP P00491 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3A Q14432 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NT5E P21589 4/20 0.45
AHCY P23526 2/20 0.43
ADORA1 P30542 2/20 0.43
CA5A P35218 1/20 0.42
HIF1A Q16665 1/20 0.41
ADORA2A P29274 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7608943 1.00 TYMP (0.59) TYMPLMNAPNPTP53HTT
SCHEMBL22216348 0.91 PNP (0.59) TYMPLMNAPNPTP53HTT
SCHEMBL20350582 0.91 PNP (0.59) TYMPLMNAPNPTP53HTT
SCHEMBL1774839 0.88 TYMP (0.63) TYMPNT5EADORA1HIF1APOLB
SCHEMBL29529385 0.88 TYMP (0.63) TYMPNT5EADORA1HIF1APOLB
SCHEMBL1774838 0.88 TYMP (0.63) TYMPNT5EADORA1HIF1APOLB
SCHEMBL7871248 0.88 TYMP (0.63) TYMPNT5EADORA1HIF1APOLB
SCHEMBL29574745 0.88 TYMP (0.63) TYMPNT5EADORA1HIF1APOLB
SCHEMBL30140978 0.86 TYMP (0.45) TYMPNT5EAHCYADORA1CA5A
SCHEMBL7895839 0.86 TYMP (0.69) TYMPLMNANT5EADORA1CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370136-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES Alnylam Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
WO-2023288045-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-19 WO disclosed
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
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