SCHEMBL3404977

SCHEMBL3404977

CCN(NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
GAA P10253 2/20 0.49
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ACHE P22303 2/20 0.42
SLC6A4 P31645 2/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3407934 0.84 MEN1 (0.41) GAAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL3401395 0.83 MAPT (0.40) GAAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL18412616 0.77 MGLL (0.53) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL7308415 0.77 MGLL (0.53) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL14907653 0.77 MGLL (0.72) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL3404972 0.76 MGLL (0.51) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL14907652 0.76 MGLL (0.67) MGLLGAABCL9CTNNB1SMN1; SMN2
SCHEMBL11980594 0.76 MGLL (0.60) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL18984707 0.76 KMT2A (0.47) GAAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL10674760 0.74 GAA (0.56) MGLLGAABCL9CTNNB1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO disclosed