SCHEMBL4845769

SCHEMBL4845769

COc1ccnc(N(C)S(=O)(=O)c2nc3cc(-n4cccc4)ccc3[nH]2)c1C

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
ATP1A1 P05023 3/20 0.31
ATP1B1 P05026 3/20 0.31
ATP1A3 P13637 3/20 0.31
ATP1B2 P14415 3/20 0.31
ATP4A P20648 3/20 0.31
ATP1A2 P50993 3/20 0.31
ATP4B P51164 3/20 0.31
ATP1B3 P54709 3/20 0.31
FXYD2 P54710 3/20 0.31
ATP1A4 Q13733 3/20 0.31
BRD4 O60885 1/20 0.30

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 0.80 CYP2C9 (0.44) MAPTLMNAATP1A1ATP1B1ATP1A3
SCHEMBL23988303 0.80 CYP2C9 (0.44) MAPTLMNAATP1A1ATP1B1ATP1A3
SCHEMBL4845762 0.78 ATP1A1 (0.37) MAPTLMNAATP1A1ATP1B1ATP1A3
SCHEMBL8128130 0.75 SRPK1 (0.41) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988416 0.75 CYP2C9 (0.42) MAPTLMNAATP1A1ATP1B1ATP1A3
SCHEMBL29573675 0.73 CYP2C9 (0.51) MAPTLMNAATP1A1ATP1B1ATP1A3
SCHEMBL5413997 0.72 KMT2A (0.54) MAPTLMNAATP1A1ATP1B1ATP1A3
SCHEMBL23988418 0.72 CYP2C9 (0.40) MAPTLMNAATP1A1ATP1B1ATP1A3
SCHEMBL23988509 0.71 CYP2C9 (0.47) MAPTLMNAATP1A1ATP1B1ATP1A3
SCHEMBL8860597 0.71

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-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