SCHEMBL2842763

SCHEMBL2842763

N=C(N)C1CC[N+]([O-])(c2ccccn2)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
PKM P14618 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
SCHEMBL2842760 0.66 NISCH (0.30) LMNA
SCHEMBL5585965 0.63 KDM4E (0.37) LMNAPKM
SCHEMBL8411990 0.60 KDM4E (0.42) LMNAPKM
SCHEMBL2478991 0.57 CES2 (0.47) LMNAPKM
2-Chloropyridine SCHEMBL28062251 0.56 TDP1 (0.70) LMNA
SCHEMBL17887937 0.55 NISCH (0.44) PKM
SCHEMBL247847 0.55
SCHEMBL3079911 0.54 KDM4E (0.40) LMNAPKM
SCHEMBL9632322 0.54 ADRA2A (0.61) LMNAPKM
Quinoxaline SCHEMBL15110729 0.54 ALDH1A1 (0.44) LMNAPKM

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
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO claimed