SCHEMBL4845762

SCHEMBL4845762

COc1ccnc(CNS(=O)(=O)c2nc3cc(-n4cccc4)ccc3[nH]2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 6/20 0.37
ATP1B1 P05026 6/20 0.37
ATP1A3 P13637 6/20 0.37
ATP1B2 P14415 6/20 0.37
ATP4A P20648 6/20 0.37
ATP1A2 P50993 6/20 0.37
ATP4B P51164 6/20 0.37
ATP1B3 P54709 6/20 0.37
FXYD2 P54710 6/20 0.37
ATP1A4 Q13733 6/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 2/20 0.33
DDAH1 O94760 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL31028113 0.86 CYP2C9 (0.44) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988303 0.86 CYP2C9 (0.44) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL29573675 0.79 CYP2C9 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988416 0.79 CYP2C9 (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL4845769 0.78 MAPT (0.31) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988418 0.78 CYP2C9 (0.40) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988509 0.77 CYP2C9 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL12359789 0.77 ATP1A1 (0.38) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL2385445 0.77 CYP2D6 (0.53) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988417 0.76 ATP4A (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971327-A2 PHARMACEUTICAL COMPOSITIONS OF ILAPRAZOLE Tap Pharmaceutical Products, Inc. (US) 2008-09-24 EP disclosed
WO-2008036201-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE 1H-IMIDAZO[4,5-B] PYRIDINE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
WO-2007075381-A2 PHARMACEUTICAL COMPOSITIONS OF ILAPRAZOLE TAP PHARMACEUTICAL PRODUCTS, INC. (US) 2007-07-05 WO disclosed