SCHEMBL4894945

SCHEMBL4894945

COc1ccc2c(n1)nc(S(=O)(=O)N(C)c1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(OCC(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 4/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DDAH1 O94760 1/20 0.30
SARM1 Q6SZW1 1/20 0.30
IDO2 Q6ZQW0 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
SCHEMBL4894942 0.85 TSHR (0.34) GAAMAPTALDH1A1LMNAPSEN1
SCHEMBL3771220 0.82 DDAH1 (0.33) GAAALDH1A1NPSR1PSEN1PSEN2
SCHEMBL13008031 0.76 PSEN1 (0.32) HPGDGAAALDH1A1PSEN1PSEN2
SCHEMBL4796445 0.76 PDE10A (0.33) MAPTALDH1A1NPSR1LMNAMEN1
SCHEMBL3771197 0.74 CYP2C9 (0.34) GAAALDH1A1NPSR1DDAH1SARM1
SCHEMBL5760319 0.72 CYP2C9 (0.38) HPGDGAAMAPTALDH1A1LMNA
SCHEMBL6477928 0.70 CYP2C9 (0.39) HPGDGAAMAPTALDH1A1LMNA
SCHEMBL3771472 0.68 DDAH1 (0.38) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL13008022 0.68 DDAH1 (0.38) GAAALDH1A1PSEN1PSEN2APH1B
SCHEMBL5762088 0.66 CYP2C9 (0.36) HPGDGAAMAPTALDH1A1MEN1

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