SCHEMBL3974811

SCHEMBL3974811

CNC(=S)Nc1ccc(CNC(=O)OCC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HDAC1 Q13547 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3977167 0.89 MAPKAPK2 (0.50) MAPKAPK2ALDH1A1HPGDMEN1KMT2A
SCHEMBL3975984 0.79 NAMPT (0.57) MAPKAPK2ALDH1A1HPGDMEN1KMT2A
SCHEMBL3710489 0.78 HDAC1 (0.49) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL847829 0.76 HDAC1 (0.48) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL6237639 0.76 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL19997538 0.73 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3976381 0.73 ALDH1A1 (0.58) ALDH1A1HPGDKMT2ALMNAMAPT
SCHEMBL19851224 0.72 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL16193026 0.72 PLAU (0.59) MAPKAPK2ALDH1A1HPGDMEN1KMT2A
SCHEMBL16193025 0.71 NAMPT (0.60) MAPKAPK2ALDH1A1HPGDMEN1KMT2A

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-2009053448-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-04-30 WO disclosed