SCHEMBL3971614

SCHEMBL3971614

CC(C)c1ccc(NC(=O)CN(C)CCc2cn(-c3ccccn3)c3ccc(C(=O)O)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PANK3 Q9H999 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL13883894 0.88 LTA4H (0.44) LTA4HRAB9AMAPTMEN1GFER
SCHEMBL3970202 0.85 RAB9A (0.47) SMN1; SMN2RAB9ANPC1PANK3MAPT
SCHEMBL3971172 0.79 PTAFR (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL13883784 0.75 MAPK8 (0.43) MAPTALDH1A1LMNA
SCHEMBL3975570 0.74 RAB9A (0.47) RAB9AMAPTMEN1GFERKMT2A
SCHEMBL3972961 0.72 RAB9A (0.45) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL13578029 0.71 CPT2 (0.50) LTA4HMAPTMEN1GFERKMT2A
SCHEMBL3976475 0.71 PTAFR (0.45) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL13883788 0.69 PTAFR (0.40) SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL13883746 0.68 MTNR1A (0.52) SMN1; SMN2NPC1ALDH1A1

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 claimed