SCHEMBL31160200

SCHEMBL31160200

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.43
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPEPPS P55786 3/20 0.35
▸ ANPEP P15144 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 2/20 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
SCHEMBL29793014 0.93 TYMP (0.43) TYMPLMNASMN1; SMN2NPEPPSANPEP
SCHEMBL30173459 0.92 TYMP (0.42) TYMPLMNASMN1; SMN2NPEPPSANPEP
SCHEMBL2258922 0.90 TYMP (0.43) TYMPADORA1
SCHEMBL29793200 0.89 TYMP (0.42) TYMPLMNASMN1; SMN2NPEPPSANPEP
SCHEMBL30173457 0.89 TYMP (0.42) TYMPLMNASMN1; SMN2NPEPPSANPEP
SCHEMBL29792961 0.89 TYMP (0.40) TYMPLMNASMN1; SMN2NPEPPSANPEP
SCHEMBL30173452 0.88 TYMP (0.42) TYMPLMNASMN1; SMN2NPEPPSANPEP
SCHEMBL24878603 0.88 TYMP (0.43) TYMPADORA1
SCHEMBL29581997 0.88 TYMP (0.43) TYMPADORA1
SCHEMBL668595 0.88 TYMP (0.43) TYMPADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118813612-A Application of compound in RNAi (ribonucleic acid interference) medicament 纳肽得(青岛)生物医药有限公司 2024-10-22 — — CN disclosed
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