SCHEMBL3968490

SCHEMBL3968490

COC(=O)c1ccc2c(c1)c(C=O)cn2-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
FGFR1 P11362 2/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR3A P46098 2/20 0.39
ERN1 O75460 2/20 0.38

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
SCHEMBL13883738 0.86 GAA (0.47) POLBGAATSHRFGFR1ALOX15
SCHEMBL3976474 0.86 GAA (0.47) POLBGAATSHRFGFR1ALOX15
SCHEMBL3972983 0.82 FGFR1 (0.54) FGFR1KDM4EL3MBTL1HCRTR1HCRTR2
SCHEMBL3974184 0.80 POLB (0.50) POLBGAATSHRFGFR1ALOX15
SCHEMBL5793272 0.79 ALDH1A1 (0.55) POLBHTTKDM4EL3MBTL1MAPT
SCHEMBL3973159 0.77 POLB (0.47) POLBGAATSHRFGFR1ALOX15
SCHEMBL3968489 0.77 POLB (0.47) POLBGAATSHRFGFR1HTT
SCHEMBL25431063 0.76 POLB (0.66) POLBGAATSHRFGFR1ALOX15
SCHEMBL3972960 0.76 ALDH1A1 (0.59) TSHRFGFR1HTTKDM4EMAPT
SCHEMBL30158930 0.75 FGFR1 (0.71) POLBGAATSHRFGFR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed