SCHEMBL3971172

SCHEMBL3971172

CC(C)c1ccc(C(=O)NCCCCc2cn(-c3ccccn3)c3ccc(C(=O)O)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 6/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TBXAS1 P24557 9/20 0.41
HDAC3 O15379 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3976475 0.92 PTAFR (0.45) PTAFRNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL3976494 0.88 NPC1 (0.52) PTAFRNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL13883788 0.86 PTAFR (0.40) PTAFRSMN1; SMN2TBXAS1HPGDSLC6A4
SCHEMBL3971346 0.82 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL3969866 0.81 NAMPT (0.47) NPC1RAB9ALMNAHPGDMEN1
SCHEMBL3970202 0.79 RAB9A (0.47) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL3971614 0.79 LTA4H (0.41) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL13883896 0.79 POLB (0.38) PTAFRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13883740 0.78 NPC1 (0.48) PTAFRNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL3971256 0.76 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HDAC3LMNA

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 3 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 claimed
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