SCHEMBL8337645

SCHEMBL8337645

Cc1ccccc1NC(=O)C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
PYGL P06737 1/20 0.44
DDX3X O00571 1/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
ALOX12 P18054 1/20 0.42
MYOC Q99972 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
SCHEMBL8337404 0.90 DDX3X (0.59) KMT2ATSHRPYGLDDX3XMAPT
SCHEMBL6723568 0.86 ALDH1A1 (0.51) KMT2ATSHRPYGLMAPTALDH1A1
SCHEMBL6723186 0.86 ALDH1A1 (0.51) KMT2ATSHRPYGLMAPTALDH1A1
SCHEMBL8338006 0.84 KMT2A (0.54) KMT2ATSHREPHX1PYGLMAPT
SCHEMBL6723389 0.83 MAPT (0.56) KMT2ATSHRPYGLMAPTALDH1A1
SCHEMBL6713855 0.83 MAPT (0.56) KMT2ATSHRPYGLMAPTALDH1A1
SCHEMBL8334912 0.80 KMT2A (0.53) KMT2ATSHREPHX1PYGLALDH1A1
SCHEMBL8336155 0.80 KMT2A (0.48) KMT2ATSHRPYGLDDX3XSMN1; SMN2
SCHEMBL6824922 0.78 KMT2A (0.63) KMT2ATSHRPYGLTDP1
SCHEMBL16790895 0.77 ALDH1A1 (0.62) KMT2ADDX3XMAPTALDH1A1SMN1; SMN2

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