SCHEMBL7084534

SCHEMBL7084534

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.53
PPARG P37231 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 5/20 0.49
GAA P10253 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL6960129 0.86 SMN1; SMN2 (0.53) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL6958448 0.85 SMN1; SMN2 (0.69) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL6955300 0.85 SMN1; SMN2 (0.52) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL6960507 0.85 PLA2G2A (0.55) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL16851064 0.82 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL7083195 0.81 SMN1; SMN2 (0.49) RXFP1SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL4384277 0.81 ALDH1A1 (0.64) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL7076894 0.81 F11 (0.51) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL6954866 0.81 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL6956520 0.81 ALDH1A1 (0.64) 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