SCHEMBL22323680

SCHEMBL22323680

COc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
MAPT P10636 2/20 0.72
HTT P42858 1/20 0.72
BCHE P06276 12/20 0.66
ACHE P22303 5/20 0.64
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HPGD P15428 1/20 0.57
NOX1 Q9Y5S8 1/20 0.54

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
SCHEMBL22147543 0.89 LMNA (0.79) LMNAMAPTHTTBCHEACHE
SCHEMBL9009230 0.82 LMNA (0.68) LMNAMAPTHTTBCHEACHE
SCHEMBL3455868 0.79 ALDH1A1 (0.70) LMNAMAPTHTTSMN1; SMN2HPGD
SCHEMBL31061043 0.79 BCHE (1.00) LMNAMAPTBCHEACHETP53
SCHEMBL9009016 0.78 LMNA (0.62) LMNAMAPTHTTBCHEACHE
SCHEMBL14732437 0.76 BCHE (0.67) LMNAMAPTHTTBCHEACHE
SCHEMBL9009014 0.76 LMNA (0.60) LMNAMAPTHTTBCHEACHE
SCHEMBL27593699 0.76 BCHE (0.66) LMNAMAPTHTTBCHEACHE
SCHEMBL28621381 0.76 BCHE (1.00) BCHEACHEHPGD
SCHEMBL30966338 0.75 MAPT (1.00) LMNAMAPTBCHEACHETP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 WO disclosed
WO-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 WO disclosed