SCHEMBL18594686

SCHEMBL18594686

O=C1C=CC(=O)N1BBI

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.36
▸ FAAH O00519 6/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL21019700 0.69 MGLL (0.42) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL12936649 0.65 — —
SCHEMBL22223456 0.59 DDAH1 (0.35) MGLLFAAHALDH1A1NPSR1BLM
SCHEMBL7560300 0.59 — —
SCHEMBL4619430 0.57 MGLL (0.65) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL157324 0.57 MGLL (0.50) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL114195 0.57 MGLL (0.58) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL28676621 0.54 — —
SCHEMBL9786718 0.53 — —
SCHEMBL21862009 0.53 MGLL (0.38) MGLLFAAHALDH1A1LMNAMAPT

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
US-9585970-B2 Site-specific labeling methods and molecules produced thereby NOVARTIS AG (CH) 2017-03-07 — — US disclosed
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