SCHEMBL23584485

SCHEMBL23584485

CSc1ncnn2c([C@H]3CC[C@@H](CN4CCOC[C@H]4CCNC(=O)OC(C)(C)C)O3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ ATR Q13535 6/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ SIRT3 Q9NTG7 1/20 0.31
▸ ATRIP Q8WXE1 3/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL23584749 0.93 BRD4 (0.31) BRD4ATR
SCHEMBL23584771 0.90 CSNK2A2 (0.35) BRD4ATRSIRT2SIRT1SIRT3
SCHEMBL23584740 0.87 SIRT2 (0.30) SIRT2SIRT1SIRT3
SCHEMBL19344507 0.83 BRD4 (0.31) BRD4
SCHEMBL23584758 0.83 DOT1L (0.33) BRD4ATR
SCHEMBL23584607 0.81 — —
SCHEMBL23584623 0.80 — —
SCHEMBL23584779 0.80 — —
SCHEMBL19344519 0.78 — —
SCHEMBL23584694 0.77 CSNK2A2 (0.34) SIRT2SIRT1SIRT3

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
EP-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 — — EP disclosed
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