SCHEMBL8348043

SCHEMBL8348043

Cc1cc(-c2ccccc2)ccc1NC(=O)C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 7/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
ALOX12 P18054 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABCB1 P08183 3/20 0.42
ABCC1 P33527 3/20 0.42
KCNMA1 Q12791 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL8346790 0.92 KMT2A (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6717035 0.92 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6716834 0.89 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6713812 0.89 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6718664 0.89 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6714265 0.86 KMT2A (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6717232 0.84 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6717122 0.84 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6713795 0.83 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8347861 0.82 MEN1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA

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-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed