SCHEMBL6887892

SCHEMBL6887892

CC(C)NC(=O)CNC(=O)c1cc(N2CCNC(C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
SIRT6 Q8N6T7 4/20 0.46
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SERPINE1 P05121 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13108499 0.95 MAPT (0.51) MAPTSIRT6FAAHMGLLALDH1A1
SCHEMBL2462404 0.95 MAPT (0.51) MAPTSIRT6FAAHMGLLALDH1A1
SCHEMBL2459768 0.87 MAPT (0.41) MAPT
SCHEMBL2459776 0.87 MAPT (0.41) MAPT
SCHEMBL2463515 0.87 MAPT (0.41) MAPT
SCHEMBL6890803 0.85 SIRT6 (0.46) MAPTSIRT6FAAHMGLLALDH1A1
SCHEMBL11905342 0.81 SIRT6 (0.46) MAPTSIRT6FAAHMGLLALDH1A1
SCHEMBL17056469 0.81 SIRT6 (0.40) MAPTSIRT6FAAHMGLLALDH1A1
SCHEMBL11905335 0.81 SIRT6 (0.46) MAPTSIRT6FAAHMGLLALDH1A1
SCHEMBL16103935 0.81 SIRT6 (0.40) MAPTSIRT6FAAHMGLLALDH1A1

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-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed