SCHEMBL3973576

SCHEMBL3973576

COC(=O)c1ccc2c(c1)c(C=C[N+](=O)[O-])cn2-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 1/20 0.50
FGFR1 P11362 1/20 0.48
NR4A2 P43354 1/20 0.47
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 3/20 0.43
MITF O75030 1/20 0.43
MAPK1 P28482 1/20 0.43
SCN2B O60939 1/20 0.43
SCN1A P35498 1/20 0.43
SCN1B Q07699 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL13883742 1.00 MAPT (0.50) MAPTALDH1A1RAB9AFGFR1NR4A2
SCHEMBL13883738 0.85 GAA (0.47) MAPTALDH1A1RAB9AFGFR1PKM
SCHEMBL3976474 0.85 GAA (0.47) MAPTALDH1A1RAB9AFGFR1PKM
SCHEMBL3972983 0.84 FGFR1 (0.54) ALDH1A1FGFR1NR4A2SCN2BSCN1A
SCHEMBL9428078 0.80 ALDH1A1 (0.62) MAPTALDH1A1RAB9ANR4A2PKM
SCHEMBL9428072 0.80 ALDH1A1 (0.62) MAPTALDH1A1RAB9ANR4A2PKM
SCHEMBL13883737 0.79 FGFR1 (0.44) MAPTALDH1A1FGFR1NR4A2PKM
SCHEMBL3970192 0.77 MTNR1A (0.51) ALDH1A1FGFR1NR4A2LMNAPOLB
SCHEMBL3971298 0.77 FGFR1 (0.43) MAPTALDH1A1FGFR1NR4A2PKM
SCHEMBL3971294 0.77 FGFR1 (0.43) MAPTALDH1A1FGFR1NR4A2PKM

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