SCHEMBL6960129

SCHEMBL6960129

COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.46
PLA2G2A P14555 1/20 0.44
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42

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 0.86 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL6955300 0.86 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL6960507 0.86 PLA2G2A (0.55) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL7084534 0.86 PRNP (0.53) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL6954866 0.83 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL7076894 0.83 F11 (0.51) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL7083195 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL4384277 0.83 ALDH1A1 (0.64) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL6956520 0.83 ALDH1A1 (0.64) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL5166558 0.81 SMN1; SMN2 (0.75) SMN1; SMN2KDM4EALDH1A1GAAMAPT

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
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP claimed