SCHEMBL6528301

SCHEMBL6528301

COC=Cc1ccn(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ABCB11 O95342 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 1/20 0.38
CASR P41180 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ELOVL1 Q9BW60 5/20 0.35
P2RX7 Q99572 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NLRP3 Q96P20 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6528299 1.00 GAA (0.43) GAAABCB11HDAC6MAPTHTT
SCHEMBL11260547 0.83 GAA (0.38) GAAABCB11HDAC6MAPTHTT
SCHEMBL20422254 0.77 HTT (0.45) GAAABCB11HDAC6MAPTHTT
SCHEMBL17261502 0.73 NPC1 (0.53) GAAHDAC6MAPTHTTTSHR
SCHEMBL17261501 0.73 NPC1 (0.53) GAAHDAC6MAPTHTTTSHR
SCHEMBL1060286 0.73 P2RX7 (0.56) GAAMAPTHTTTSHRHSD17B10
SCHEMBL19457031 0.72 MAPT (0.49) GAAABCB11HDAC6MAPTHTT
SCHEMBL8642464 0.71 FBP1 (0.47) GAAMAPTHTTTSHRHSD17B10
SCHEMBL8551495 0.71 FBP1 (0.47) GAAMAPTHTTTSHRHSD17B10
SCHEMBL541634 0.70 MAPT (0.55) GAAABCB11HDAC6MAPTHTT

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed