SCHEMBL30144743

SCHEMBL30144743

COc1ccc(C(OC[C@@]23CO[C@@H]([C@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)O2)[C@@H]3OP(SCCSC(=O)c2ccccc2)N2CCCC2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.34
▸ ADORA2B P29275 3/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ PRMT6 Q96LA8 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ GAPDH P04406 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL22556250 1.00 TYMP (0.34) TYMPADORA2BADORA2APRMT6ADORA3
SCHEMBL24658930 1.00 TYMP (0.34) TYMPADORA2BADORA2APRMT6ADORA3
SCHEMBL22585429 1.00 TYMP (0.34) TYMPADORA2BADORA2APRMT6ADORA3
SCHEMBL22585585 0.92 TYMP (0.36) TYMPADORA1
SCHEMBL24658931 0.92 TYMP (0.36) TYMPADORA1
SCHEMBL22556251 0.92 TYMP (0.35) TYMPADORA2BADORA2APRMT6ADORA3
SCHEMBL23243656 0.90 TYMP (0.33) TYMPADORA2BADORA2APRMT6ADORA3
SCHEMBL24659264 0.87 TYMP (0.35) TYMP
SCHEMBL23263917 0.87 TYMP (0.35) TYMP
SCHEMBL24835979 0.86 ADORA3 (0.30) ADORA3

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-3728592-B1 OLIGONUCLEOTIDES COMPRISING A PHOSPHORODITHIOATE INTERNUCLEOSIDE LINKAGE ROCHE INNOVATION CT COPENHAGEN AS (DK) 2024-05-29 — — EP disclosed
EP-4074724-A1 OLIGONUCLEOTIDES COMPRISING A PHOSPHORODITHIOATE INTERNUCLEOSIDE LINKAGE Roche Innovation Center Copenhagen A/S (DK) 2022-10-19 — — EP disclosed
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