SCHEMBL21279652

SCHEMBL21279652

CNc1c(C)c(C)nc2cc(C3CCCCN3C(=O)OC(C)(C)C)nn12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ AADAT Q8N5Z0 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TP53 P04637 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
SCHEMBL2737904 1.00 L3MBTL1 (0.37) L3MBTL1NPSR1LMNAALDH1A1AADAT
SCHEMBL2737994 0.91 L3MBTL1 (0.36) L3MBTL1NPSR1LMNAALDH1A1AADAT
SCHEMBL2737978 0.91 UCHL1 (0.38) L3MBTL1NPSR1LMNAALDH1A1AADAT
SCHEMBL2737903 0.88 ALDH1A1 (0.41) L3MBTL1NPSR1LMNAALDH1A1AADAT
SCHEMBL21279513 0.88 ALDH1A1 (0.41) L3MBTL1NPSR1LMNAALDH1A1AADAT
SCHEMBL21279510 0.86 TSHR (0.37) L3MBTL1NPSR1LMNAALDH1A1MAPT
SCHEMBL2737893 0.86 TSHR (0.37) L3MBTL1NPSR1LMNAALDH1A1MAPT
SCHEMBL2737977 0.86 PDE8B (0.37) L3MBTL1NPSR1LMNAALDH1A1AADAT
SCHEMBL2737976 0.85 PDE8B (0.39) L3MBTL1NPSR1LMNAALDH1A1MAPT
SCHEMBL2737986 0.85 ABCB1 (0.41) ALDH1A1

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-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 — — EP disclosed
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