SCHEMBL3972983

SCHEMBL3972983

COC(=O)c1ccc2c(c1)c(C=O)cn2-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.54
NR4A2 P43354 1/20 0.53
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 3/20 0.49
SCN2B O60939 1/20 0.47
SCN1A P35498 1/20 0.47
SCN1B Q07699 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ERN1 O75460 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL3972960 0.88 ALDH1A1 (0.59) FGFR1ALDH1A1KDM4ESCN2BSCN1A
SCHEMBL13883667 0.87 ALDH1A1 (0.51) ALDH1A1KDM4ESCN2BSCN1ASCN1B
SCHEMBL3973576 0.84 MAPT (0.50) FGFR1NR4A2ALDH1A1KDM4ESCN2B
SCHEMBL13883742 0.84 MAPT (0.50) FGFR1NR4A2ALDH1A1KDM4ESCN2B
SCHEMBL3976736 0.83 NR4A2 (0.54) FGFR1NR4A2ALDH1A1KDM4ESCN2B
SCHEMBL3968490 0.82 POLB (0.53) FGFR1ALDH1A1KDM4EGLAHPGD
SCHEMBL3974115 0.82 NR4A2 (0.63) FGFR1NR4A2ALDH1A1KDM4ESCN2B
SCHEMBL13883737 0.80 FGFR1 (0.44) FGFR1NR4A2ALDH1A1KDM4ESCN2B
SCHEMBL2161419 0.80 CNR2 (0.56) ALDH1A1TDP1SMN1; SMN2LMNAMEN1
SCHEMBL28027053 0.79 HTR6 (0.55) FGFR1ALDH1A1KDM4EHPGDL3MBTL1

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