SCHEMBL29709093

SCHEMBL29709093

COc1ccc(C(OC[C@H]2O[C@@H](n3c(=O)[nH]c4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.45
TYMS P04818 2/20 0.38
BRD4 O60885 1/20 0.37
TMIGD3 P0DMS9 2/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 1/20 0.34
EGFR P00533 1/20 0.34
ERBB3 P21860 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
SCHEMBL23215660 1.00 TYMP (0.45) TYMPTYMSBRD4TMIGD3ADORA3
SCHEMBL29709101 1.00 TYMP (0.45) TYMPTYMSBRD4TMIGD3ADORA3
SCHEMBL23215200 1.00 TYMP (0.45) TYMPTYMSBRD4TMIGD3ADORA3
SCHEMBL3626996 0.94 TYMP (0.46) TYMPTYMS
SCHEMBL3627000 0.94 TYMP (0.46) TYMPTYMS
SCHEMBL26647641 0.93 TYMP (0.45) TYMPTYMS
SCHEMBL26647525 0.93 TYMP (0.45) TYMPTYMS
SCHEMBL30274693 0.92 TYMP (0.43) TYMPTYMSBRD4TMIGD3ADORA3
SCHEMBL30274889 0.92 TYMP (0.43) TYMPTYMSBRD4TMIGD3ADORA3
SCHEMBL30274796 0.92 TYMP (0.44) TYMPTYMSADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4404942-A2 COMPOSITIONS FOR EDITING MECP2 TRANSCRIPTS AND METHODS THEREOF Wave Life Sciences Ltd. (SG) 2024-07-31 EP disclosed
EP-4240849-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF Wave Life Sciences Ltd. (SG) 2023-09-13 EP disclosed
WO-2023049477-A2 COMPOSITIONS FOR EDITING MECP2 TRANSCRIPTS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-03-30 WO disclosed
EP-4022059-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF Wave Life Sciences Ltd. (SG) 2022-07-06 EP disclosed