SCHEMBL3976474

SCHEMBL3976474

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.43
FGFR1 P11362 1/20 0.40
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR3A P46098 2/20 0.37
LMNA P02545 1/20 0.37
EGFR P00533 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
SCHEMBL13883738 1.00 GAA (0.47) GAAPOLBTSHRMAPTALDH1A1
SCHEMBL3968490 0.86 POLB (0.53) GAAPOLBTSHRMAPTALDH1A1
SCHEMBL3973576 0.85 MAPT (0.50) GAAPOLBMAPTALDH1A1RAB9A
SCHEMBL13883742 0.85 MAPT (0.50) GAAPOLBMAPTALDH1A1RAB9A
SCHEMBL3968489 0.80 POLB (0.47) GAAPOLBTSHRMAPTALDH1A1
SCHEMBL3974184 0.75 POLB (0.50) GAAPOLBTSHRMAPTALDH1A1
SCHEMBL3973159 0.72 POLB (0.47) GAAPOLBTSHRMAPTALDH1A1
SCHEMBL3973189 0.71 POLB (0.55) GAAPOLBTSHRMAPTRAB9A
SCHEMBL31556376 0.71 POLB (0.55) GAAPOLBTSHRMAPTRAB9A
SCHEMBL30158930 0.71 FGFR1 (0.71) GAAPOLBTSHRMAPTALDH1A1

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