SCHEMBL29709081

SCHEMBL29709081

C[Si](C)(C)OC[C@H]1O[C@@H](n2c(OCc3ccccc3)nc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O[Si](C)(C)C)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ P2RY12 Q9H244 2/20 0.40
▸ DNPH1 O43598 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ P2RY1 P47900 1/20 0.39
▸ P2RY6 Q15077 1/20 0.39
▸ NT5E P21589 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ ADK P55263 3/20 0.37

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
SCHEMBL23216556 1.00 HSPA5 (0.42) HSPA5CYP1A2P2RY12DNPH1SIRT2
SCHEMBL29673052 0.82 CYP1A2 (0.57) CYP1A2ADORA3ADORA2AADORA1ADK
SCHEMBL23216880 0.82 CYP1A2 (0.57) CYP1A2ADORA3ADORA2AADORA1ADK
SCHEMBL25824151 0.82 ADORA1 (0.43) P2RY12ADORA3ADORA2AADORA1ADK
SCHEMBL27056587 0.82 ADORA1 (0.43) P2RY12ADORA3ADORA2AADORA1ADK
SCHEMBL23215186 0.75 ADORA3 (0.47) CYP1A2ADORA3ADORA2AADORA1ADK
SCHEMBL29673046 0.75 ADORA3 (0.47) CYP1A2ADORA3ADORA2AADORA1ADK
SCHEMBL14876593 0.73 TYMP (0.41) P2RY12SIRT2
SCHEMBL26107563 0.72 P2RY12 (0.52) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL27056585 0.71 ADK (0.59) ADORA3ADORA2AADORA1ADK

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
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