SCHEMBL2905192

SCHEMBL2905192

NNC(N)=NCCCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
SIGMAR1 Q99720 8/20 0.50
HRH3 Q9Y5N1 2/20 0.50
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
Iodide SCHEMBL4010790 0.98 LMNA (0.50) LMNASIGMAR1HRH3MAPTALDH1A1
SCHEMBL2905469 0.98 SIGMAR1 (0.51) LMNASIGMAR1HRH3MAPT
Iodide SCHEMBL4008478 0.96 SIGMAR1 (0.50) LMNASIGMAR1HRH3MAPT
SCHEMBL10594659 0.91 SIGMAR1 (0.43) LMNASIGMAR1HRH3
SCHEMBL9290957 0.89 LMNA (0.66) LMNASIGMAR1HRH3MAPTALDH1A1
SCHEMBL9290790 0.89 LMNA (0.66) LMNASIGMAR1HRH3MAPTALDH1A1
SCHEMBL9290890 0.89 LMNA (0.66) LMNASIGMAR1HRH3MAPTALDH1A1
Bromide SCHEMBL10340648 0.89 SIGMAR1 (0.43) LMNASIGMAR1HRH3
SCHEMBL9290829 0.87 LMNA (0.62) LMNASIGMAR1HRH3MAPTALDH1A1
SCHEMBL5924357 0.84 SIGMAR1 (0.40) LMNASIGMAR1HRH3

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-1874761-B1 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA SA (FR) 2010-08-18 EP disclosed