SCHEMBL5800451

SCHEMBL5800451

COC(=O)c1ccsc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK10 P53779 1/20 0.44
SIRT6 Q8N6T7 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
SLC10A6 Q3KNW5 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL27868477 0.80 MAPT (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3673340 0.78 MAPT (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK10
SCHEMBL4307844 0.78 MAPT (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5454754 0.76 SLC6A3 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL16212756 0.75 PDGFRB (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL23412561 0.73 GAA (0.39) ALDH1A1KMT2ASMN1; SMN2KDM4ESIRT6
SCHEMBL1527614 0.73 CHEK1 (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2SIRT6
SCHEMBL22128104 0.72 POLB (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL1848834 0.72 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPK10
SCHEMBL5949858 0.72 SLC6A4 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E

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-2006065788-A2 NOVEL MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-06-22 WO disclosed