SCHEMBL29793014

SCHEMBL29793014

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N(C(=O)c5ccccc5)C(C)C)ncnc43)C(OC)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 10/20 0.43
▸ LMNA P02545 2/20 0.37
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPEPPS P55786 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34

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
SCHEMBL30173459 0.94 TYMP (0.42) TYMPLMNAADORA2AADORA2BSMN1; SMN2
SCHEMBL29793200 0.94 TYMP (0.42) TYMPLMNAADORA2AADORA2BSMN1; SMN2
SCHEMBL31160200 0.93 TYMP (0.43) TYMPLMNAADORA2AADORA2BSMN1; SMN2
SCHEMBL29792961 0.91 TYMP (0.40) TYMPLMNAADORA2AADORA2BSMN1; SMN2
SCHEMBL24878603 0.90 TYMP (0.43) TYMPADORA1
SCHEMBL668595 0.90 TYMP (0.43) TYMPADORA1
SCHEMBL26535891 0.90 TYMP (0.43) TYMPADORA1
SCHEMBL29581997 0.90 TYMP (0.43) TYMPADORA1
SCHEMBL25873876 0.90 TYMP (0.43) TYMPADORA1
SCHEMBL30173457 0.89 TYMP (0.42) TYMPLMNAADORA2AADORA2BSMN1; SMN2

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-4277636-A1 MODIFIED OLIGONUCLEOTIDES Alnylam Pharmaceuticals, Inc. (US) 2023-11-22 — — EP disclosed
WO-2022155418-A1 MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2022-07-21 — — WO disclosed
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