SCHEMBL8328544

SCHEMBL8328544

COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C(=O)Nc1ccc(C)c(C)c1)c1ccsc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
MAPT P10636 5/20 0.54
POLB P06746 3/20 0.54
MAPK1 P28482 2/20 0.54
BLM P54132 1/20 0.54
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PYGL P06737 1/20 0.42

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
SCHEMBL8334628 0.93 MEN1 (0.49) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL6718768 0.90 KMT2A (0.51) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL6726360 0.88 MEN1 (0.60) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL6715844 0.88 MEN1 (0.60) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL8335661 0.87 MEN1 (0.52) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL6726583 0.82 HTT (0.51) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL6722817 0.80 MEN1 (0.60) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL6726581 0.80 MEN1 (0.60) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL8336995 0.80 MEN1 (0.47) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL6723227 0.80 MEN1 (0.53) MEN1KMT2AMAPTPOLBMAPK1

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-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed