SCHEMBL23472623

SCHEMBL23472623

CCCCNc1nc(C)ncc1OCCCC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ MERTK Q12866 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HCAR3 P49019 1/20 0.33

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
SCHEMBL23472550 0.88 LMNA (0.41) LMNAALDH1A1PDE3BPDE3AP2RY12
SCHEMBL15470213 0.88 L3MBTL1 (0.46) LMNATLR7TLR8L3MBTL1
SCHEMBL23472109 0.81 TLR8 (0.38) LMNAALDH1A1HTTGAATLR7
SCHEMBL23472288 0.79 TLR8 (0.38) LMNATLR7TLR8L3MBTL1
SCHEMBL20219396 0.77 TLR8 (0.35) ALDH1A1POLBBRD4TLR7TLR8
SCHEMBL13195063 0.76 L3MBTL1 (0.50) TLR7TLR8L3MBTL1
SCHEMBL20219709 0.75 L3MBTL1 (0.44) TLR7TLR8L3MBTL1
SCHEMBL20219707 0.75 L3MBTL1 (0.44) TLR7TLR8L3MBTL1
SCHEMBL20219391 0.74 TLR8 (0.35) ALDH1A1POLBTLR7TLR8L3MBTL1
SCHEMBL23472526 0.74 TLR8 (0.47) LMNAALDH1A1PDE3AHTTPOLB

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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