SCHEMBL3977167

SCHEMBL3977167

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
NAMPT P43490 1/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3974811 0.89 MAPKAPK2 (0.48) MAPKAPK2KMT2AMEN1ALDH1A1HPGD
SCHEMBL3976512 0.80 NAMPT (0.56) MAPKAPK2KMT2AMEN1ALDH1A1HPGD
SCHEMBL3710489 0.77 HDAC1 (0.49) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL847829 0.76 HDAC1 (0.48) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL6237639 0.75 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4049111 0.72 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8611488 0.71 ALDH1A1 (0.81) KMT2AALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL14386215 0.71 SMN1; SMN2 (0.68) KMT2AALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL16193026 0.71 PLAU (0.59) MAPKAPK2KMT2AMEN1ALDH1A1HPGD
SCHEMBL965401 0.71 SMN1; SMN2 (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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