SCHEMBL4755034

SCHEMBL4755034

CNC(=O)c1ccc(OCCSC)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.69
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TBXAS1 P24557 1/20 0.52
MMP13 P45452 1/20 0.50
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GAA P10253 1/20 0.45
MMP1 P03956 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
SCHEMBL4751948 0.85 PLK1 (0.69) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL21753359 0.82 MAPT (0.74) HPGDSMN1; SMN2NPC1MAPTL3MBTL1
SCHEMBL4751615 0.81 PLK1 (0.75) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL12839873 0.81 PLK1 (0.87) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL4751488 0.81 PLK1 (0.75) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL11962158 0.81 PLK1 (1.00) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9629138 0.80 PLK1 (0.73) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL18914860 0.80 PLK1 (0.73) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL12441882 0.80 PLK1 (0.73) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL14341662 0.80 PLK1 (0.71) PLK1HPGDTSHRHTTSMN1; 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-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO claimed