SCHEMBL3972371

SCHEMBL3972371

O=C(COCCc1cn(-c2ccccc2)c2ccc(C(=O)O)cc12)Nc1ccc2c(c1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PLA2G4A P47712 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3967394 0.85 PLA2G4A (0.46) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL3971169 0.83 PLA2G4A (0.45) MAPTTP53MEN1KMT2APLA2G4A
SCHEMBL3972869 0.83 CYSLTR2 (0.40) NPC1USP2ALDH1A1PLA2G4A
SCHEMBL3972961 0.82 RAB9A (0.45) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL3971114 0.82 HIF1A (0.45) SMN1; SMN2RAB9ANPC1MAPTPLA2G4A
SCHEMBL3976087 0.81 NPC1 (0.49) SMN1; SMN2RAB9ANPC1MAPTNFKB1
SCHEMBL3974621 0.76 MAPK8 (0.46) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL13577923 0.75 CPT2 (0.47) SMN1; SMN2RAB9ANPC1MAPTATM
SCHEMBL3972129 0.73 PLA2G4A (0.53) PLA2G4A
SCHEMBL3970202 0.72 RAB9A (0.47) SMN1; SMN2RAB9ANPC1MAPTMEN1

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