SCHEMBL5166558

SCHEMBL5166558

COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.75
LMNA P02545 4/20 0.71
ALDH1A1 P00352 3/20 0.71
GAA P10253 3/20 0.71
MAPT P10636 3/20 0.71
KDM4E B2RXH2 2/20 0.71
RAB9A P51151 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
NPC1 O15118 1/20 0.71
HPGD P15428 1/20 0.71
ABCG2 Q9UNQ0 1/20 0.59
PLA2G2A P14555 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.54
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
AR P10275 1/20 0.51
PTGS1 P23219 1/20 0.49

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
SCHEMBL6958448 0.95 SMN1; SMN2 (0.69) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL11013037 0.90 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL10617926 0.86 KDM4E (0.65) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL9267723 0.85 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL15976546 0.83 ALDH1A1 (1.00) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL30209788 0.83 KDM4E (0.61) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL5511035 0.83 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL14616739 0.82 SMN1; SMN2 (0.73) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL11010179 0.82 SMN1; SMN2 (0.66) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL6957371 0.82 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP claimed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP claimed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO claimed
EP-1774404-A2 LITHOGRAPHIC PRINTING PLATES WITH HIGH PRINT RUN STABILITY Kodak Polychrome Graphics GmbH (DE) 2007-04-18 EP disclosed
WO-2006008073-A2 LITHOGRAPHIC PRINTING PLATES WITH HIGH PRINT RUN STABILITY KODAK POLYCHROME GRAPHICS GMBH (DE) 2006-01-26 WO disclosed
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed
US-4567268-A Process for preparation of certain tetrahydrofuro[3,4-b]pyridines MERCK & CO., INC. (US) 1986-01-28 US disclosed