SCHEMBL4751948

SCHEMBL4751948

CNC(=O)c1ccc(OCSC)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.69
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MMP13 P45452 2/20 0.54
MRGPRX4 Q96LA9 1/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TBXAS1 P24557 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL4755034 0.85 PLK1 (0.69) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL27423425 0.84 PLK1 (0.71) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL14341662 0.84 PLK1 (0.71) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL2528973 0.81 PLK1 (1.00) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9666971 0.81 KMT2A (0.53) HPGDHTTSMN1; SMN2RAB9A
SCHEMBL21740970 0.80 MAPT (0.70) SMN1; SMN2NPC1RAB9ACA1CA2
SCHEMBL27579857 0.79 PKM (0.58) TSHRHTTSMN1; SMN2NPC1RAB9A
SCHEMBL12839873 0.79 PLK1 (0.87) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL11962158 0.79 PLK1 (1.00) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL4751615 0.79 PLK1 (0.75) 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