SCHEMBL3968489

SCHEMBL3968489

COC(=O)c1ccc2c(c1)c(CC[N+](=O)[O-])cn2-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
HTR7 P34969 1/20 0.39
FGFR1 P11362 1/20 0.39
ROCK1 Q13464 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CAMK2D Q13557 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RGS12 O14924 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTR3A P46098 2/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL3974184 0.86 POLB (0.50) POLBGAATSHRALDH1A1HTR7
SCHEMBL3970192 0.85 MTNR1A (0.51) POLBALDH1A1LMNAFGFR1MTNR1A
SCHEMBL3973159 0.83 POLB (0.47) POLBGAATSHRALDH1A1HTR7
SCHEMBL3976474 0.80 GAA (0.47) POLBGAATSHRALDH1A1LMNA
SCHEMBL13883738 0.80 GAA (0.47) POLBGAATSHRALDH1A1LMNA
SCHEMBL13883862 0.78 POLB (0.43) POLBGAATSHRALDH1A1HTR7
SCHEMBL3968490 0.77 POLB (0.53) POLBGAATSHRALDH1A1FGFR1
SCHEMBL3976475 0.76 PTAFR (0.45) POLBGAATSHRLMNAMAPT
SCHEMBL13883896 0.73 POLB (0.38) POLBGAATSHRALDH1A1ROCK1
SCHEMBL13883746 0.71 MTNR1A (0.52) ALDH1A1ROCK1MTNR1AMTNR1B

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