SCHEMBL3976475

SCHEMBL3976475

COC(=O)c1ccc2c(c1)c(CCCCNC(=O)c1ccc(C(C)C)cc1)cn2-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 4/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HDAC3 O15379 1/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TBXAS1 P24557 6/20 0.38
HPGD P15428 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
MCHR1 Q99705 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
SCHEMBL3971172 0.92 PTAFR (0.48) PTAFRNPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL13883896 0.87 POLB (0.38) PTAFRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3973159 0.82 POLB (0.47) RAB9APOLBGAATSHRKMT2A
SCHEMBL13883750 0.82 ABCB1 (0.42) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL3974184 0.80 POLB (0.50) RAB9APOLBGAATSHRKMT2A
SCHEMBL3976494 0.79 NPC1 (0.52) PTAFRNPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL13883788 0.78 PTAFR (0.40) PTAFRSMN1; SMN2MAPTTBXAS1HPGD
SCHEMBL13883740 0.78 NPC1 (0.48) PTAFRNPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL3968489 0.76 POLB (0.47) POLBGAATSHRLMNAKMT2A
SCHEMBL3969866 0.76 NAMPT (0.47) NPC1RAB9APOLBGAALMNA

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