SCHEMBL6197894

SCHEMBL6197894

O=c1ccoc(C(O)c2ccccn2)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KCNA2 P16389 1/20 0.37
KCNA5 P22460 1/20 0.37
KCNA1 Q09470 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CREB1 P16220 1/20 0.37
KCNA3 P22001 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.36
MAPK14 Q16539 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL6197659 0.83 LMNA (0.59) LMNAGAAMAOBMAOAPOLB
SCHEMBL6200128 0.80 LMNA (0.50) LMNAGAAMAOBMAOASMN1; SMN2
SCHEMBL6991035 0.79 LMNA (0.65) LMNAGAAMAOBMAOAPOLB
SCHEMBL6196940 0.79 LMNA (0.54) LMNAGAAMAOBMAOAPOLB
SCHEMBL28892111 0.79 LMNA (0.57) LMNAGAAMAOBMAOAPOLB
SCHEMBL6195365 0.78 LMNA (0.53) LMNAGAAMAOBMAOAPOLB
SCHEMBL6197598 0.78 LMNA (0.53) LMNAGAAMAOBMAOAPOLB
SCHEMBL6196338 0.78 LMNA (0.53) LMNAGAAMAOBMAOAPOLB
SCHEMBL6196494 0.78 LMNA (0.60) LMNAGAAMAOBMAOAPOLB
SCHEMBL6195867 0.78 LMNA (0.53) LMNAGAAMAOBMAOAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP disclosed
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP disclosed