SCHEMBL6958448

SCHEMBL6958448

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
LMNA P02545 4/20 0.66
ALDH1A1 P00352 3/20 0.66
GAA P10253 3/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 2/20 0.66
RAB9A P51151 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
NPC1 O15118 1/20 0.66
HPGD P15428 1/20 0.66
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ABCG2 Q9UNQ0 1/20 0.56
PLA2G2A P14555 1/20 0.53
FABP3 P05413 1/20 0.51
FABP4 P15090 1/20 0.51
PRNP P04156 1/20 0.51
PPARG P37231 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51

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
SCHEMBL5166558 0.95 SMN1; SMN2 (0.75) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL6957371 0.88 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL6960129 0.86 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL11013037 0.85 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL7084534 0.85 PRNP (0.53) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL6960507 0.85 PLA2G2A (0.55) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL6955300 0.85 SMN1; SMN2 (0.52) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL10617926 0.82 KDM4E (0.65) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL7076894 0.82 F11 (0.51) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL4384277 0.82 ALDH1A1 (0.64) 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 6 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-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
WO-1996033972-A1 METHODS FOR SYNTHESIZING DIVERSE COLLECTIONS OF PYRIDINES, PYRIMIDINES, 1,4-DIHYDRO DERIVATIVES THEREOF, AND PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1996-10-31 WO disclosed